3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol

C15H28O3 — CID 23341453

IUPAC3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol
SMILESCC(C)=CCC(OC1CCCCO1)C(C)CCO
InChIInChI=1S/C15H28O3/c1-12(2)7-8-14(13(3)9-10-16)18-15-6-4-5-11-17-15/h7,13-16H,4-6,8-11H2,1-3H3
InChIKeyCDDAOFAHTNOWGF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds7

About 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol

3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol (PubChem CID 23341453) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol.

Molecular Properties

Compound Name3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol
PubChem CID23341453
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol
SMILESCC(C)=CCC(OC1CCCCO1)C(C)CCO
InChIInChI=1S/C15H28O3/c1-12(2)7-8-14(13(3)9-10-16)18-15-6-4-5-11-17-15/h7,13-16H,4-6,8-11H2,1-3H3
InChIKeyCDDAOFAHTNOWGF-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.27
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 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol?
The IUPAC name of 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol (CID 23341453) is 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol.
What is the SMILES notation for 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol?
The canonical SMILES for 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol is CC(C)=CCC(OC1CCCCO1)C(C)CCO.
What is the InChIKey of 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol?
The InChIKey is CDDAOFAHTNOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-12(2)7-8-14(13(3)9-10-16)18-15-6-4-5-11-17-15/h7,13-16H,4-6,8-11H2,1-3H3.
What are the key properties of 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol?
3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol is sourced from PubChem (CID 23341453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).