1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol

C18H36O3 — CID 88930611

IUPAC1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol
SMILESC=C(C)CCC(C)(C)OCC(C)(C)OCC(O)CC(C)C
InChIInChI=1S/C18H36O3/c1-14(2)9-10-17(5,6)21-13-18(7,8)20-12-16(19)11-15(3)4/h15-16,19H,1,9-13H2,2-8H3
InChIKeyMACFIXBEXHYEOG-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.34
Rot. Bonds11

About 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol

1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol (PubChem CID 88930611) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol
PubChem CID88930611
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol
SMILESC=C(C)CCC(C)(C)OCC(C)(C)OCC(O)CC(C)C
InChIInChI=1S/C18H36O3/c1-14(2)9-10-17(5,6)21-13-18(7,8)20-12-16(19)11-15(3)4/h15-16,19H,1,9-13H2,2-8H3
InChIKeyMACFIXBEXHYEOG-UHFFFAOYSA-N
XLogP4.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol?
The IUPAC name of 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol (CID 88930611) is 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol?
The canonical SMILES for 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol is C=C(C)CCC(C)(C)OCC(C)(C)OCC(O)CC(C)C.
What is the InChIKey of 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol?
The InChIKey is MACFIXBEXHYEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-14(2)9-10-17(5,6)21-13-18(7,8)20-12-16(19)11-15(3)4/h15-16,19H,1,9-13H2,2-8H3.
What are the key properties of 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol?
1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol has a molecular weight of 300.48 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylhex-5-en-2-yloxy)-2-methylpropan-2-yl]oxy-4-methylpentan-2-ol is sourced from PubChem (CID 88930611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).