(Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol

C30H54O6 — CID 158123643

About (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol

(Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol (PubChem CID 158123643) has the molecular formula C30H54O6 and a molecular weight of 510.76 g/mol. Its IUPAC name is (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol.

Molecular Properties

• Compound Name: (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol
• PubChem CID: 158123643
• Molecular Formula: C30H54O6
• Molecular Weight: 510.76 g/mol
• Exact Mass: 510.39
• IUPAC Name: (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol
• SMILES: CCC[C@@H]1OC(C)(C)OC1C(O)/C=C\CC(C)C.CCC[C@@H]1OC(C)(C)OC1C(O)C#CCC(C)C
• InChI: InChI=1S/C15H28O3.C15H26O3/c2*1-6-8-13-14(18-15(4,5)17-13)12(16)10-7-9-11(2)3/h7,10-14,16H,6,8-9H2,1-5H3;11-14,16H,6,8-9H2,1-5H3/b10-7-;/t2*12?,13-,14?/m00/s1
• InChIKey: FRWZJIUSJRZABQ-SCGCPGEGSA-N
• XLogP: 5.99
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.76
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol?

The IUPAC name of (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol (CID 158123643) is (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol.

What is the SMILES notation for (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol?

The canonical SMILES for (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol is CCC[C@@H]1OC(C)(C)OC1C(O)/C=C\CC(C)C.CCC[C@@H]1OC(C)(C)OC1C(O)C#CCC(C)C.

What is the InChIKey of (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol?

The InChIKey is FRWZJIUSJRZABQ-SCGCPGEGSA-N. The full InChI is InChI=1S/C15H28O3.C15H26O3/c2*1-6-8-13-14(18-15(4,5)17-13)12(16)10-7-9-11(2)3/h7,10-14,16H,6,8-9H2,1-5H3;11-14,16H,6,8-9H2,1-5H3/b10-7-;/t2*12?,13-,14?/m00/s1.

What are the key properties of (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol?

(Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol has a molecular weight of 510.76 g/mol, XLogP of 5.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol;1-[(5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-yn-1-ol is sourced from PubChem (CID 158123643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).