3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)

C112H206O9 — CID 160740621

About 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)

3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol) (PubChem CID 160740621) has the molecular formula C112H206O9 and a molecular weight of 1696.87 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol).

Molecular Properties

• Compound Name: 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)
• PubChem CID: 160740621
• Molecular Formula: C112H206O9
• Molecular Weight: 1696.87 g/mol
• Exact Mass: 1695.57
• IUPAC Name: 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)
• SMILES: CC(C)C(C(C)C)C(C)C=C=CC(C)(C)O.CC(C)C(C(C)C)C(C)C=C=CC(C)(C)O.CC(C)C(C(C)C)C(C)Cc1ccc(O)cc1.CC(C)C(C(C)C)C(C)Cc1cccc(C(C)(C)O)c1.CC(C)C(C(C)C)C(C)Cc1cccc(O)c1.CC(C)C(C(C)C)C(C)OCCC(C)(C)O.CCC(O)(CC)CCCOC(C)C(C(C)C)C(C)C
• InChI: InChI=1S/C19H32O.C17H36O2.2C16H26O.2C15H28O.C14H30O2/c1-13(2)18(14(3)4)15(5)11-16-9-8-10-17(12-16)19(6,7)20;1-8-17(18,9-2)11-10-12-19-15(7)16(13(3)4)14(5)6;1-11(2)16(12(3)4)13(5)10-14-6-8-15(17)9-7-14;1-11(2)16(12(3)4)13(5)9-14-7-6-8-15(17)10-14;2*1-11(2)14(12(3)4)13(5)9-8-10-15(6,7)16;1-10(2)13(11(3)4)12(5)16-9-8-14(6,7)15/h8-10,12-15,18,20H,11H2,1-7H3;13-16,18H,8-12H2,1-7H3;6-9,11-13,16-17H,10H2,1-5H3;6-8,10-13,16-17H,9H2,1-5H3;2*9-14,16H,1-7H3;10-13,15H,8-9H2,1-7H3
• InChIKey: RVNKMCGXGKVGTK-UHFFFAOYSA-N
• XLogP: 30.22
• TPSA: 160.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 43
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1696.87
LogP ≤ 5	30.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)?

The IUPAC name of 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol) (CID 160740621) is 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol).

What is the SMILES notation for 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)?

The canonical SMILES for 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol) is CC(C)C(C(C)C)C(C)C=C=CC(C)(C)O.CC(C)C(C(C)C)C(C)C=C=CC(C)(C)O.CC(C)C(C(C)C)C(C)Cc1ccc(O)cc1.CC(C)C(C(C)C)C(C)Cc1cccc(C(C)(C)O)c1.CC(C)C(C(C)C)C(C)Cc1cccc(O)c1.CC(C)C(C(C)C)C(C)OCCC(C)(C)O.CCC(O)(CC)CCCOC(C)C(C(C)C)C(C)C.

What is the InChIKey of 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)?

The InChIKey is RVNKMCGXGKVGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O.C17H36O2.2C16H26O.2C15H28O.C14H30O2/c1-13(2)18(14(3)4)15(5)11-16-9-8-10-17(12-16)19(6,7)20;1-8-17(18,9-2)11-10-12-19-15(7)16(13(3)4)14(5)6;1-11(2)16(12(3)4)13(5)10-14-6-8-15(17)9-7-14;1-11(2)16(12(3)4)13(5)9-14-7-6-8-15(17)10-14;2*1-11(2)14(12(3)4)13(5)9-8-10-15(6,7)16;1-10(2)13(11(3)4)12(5)16-9-8-14(6,7)15/h8-10,12-15,18,20H,11H2,1-7H3;13-16,18H,8-12H2,1-7H3;6-9,11-13,16-17H,10H2,1-5H3;6-8,10-13,16-17H,9H2,1-5H3;2*9-14,16H,1-7H3;10-13,15H,8-9H2,1-7H3.

What are the key properties of 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol)?

3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol) has a molecular weight of 1696.87 g/mol, XLogP of 30.22, 43 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;4-(2,4-dimethyl-3-propan-2-ylpentyl)phenol;2-[3-(2,4-dimethyl-3-propan-2-ylpentyl)phenyl]propan-2-ol;3-ethyl-6-(4-methyl-3-propan-2-ylpentan-2-yl)oxyhexan-3-ol;2-methyl-4-(4-methyl-3-propan-2-ylpentan-2-yl)oxybutan-2-ol;bis(2,6,8-trimethyl-7-propan-2-ylnona-3,4-dien-2-ol) is sourced from PubChem (CID 160740621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).