(4R,6R)-6-methylocta-1,7-dien-4-ol

C9H16O — CID 138969313

IUPAC(4R,6R)-6-methylocta-1,7-dien-4-ol
SMILESC=CC[C@@H](O)C[C@@H](C)C=C
InChIInChI=1S/C9H16O/c1-4-6-9(10)7-8(3)5-2/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9+/m0/s1
InChIKeyWBPPOAADZUMIFR-DTWKUNHWSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds5

About (4R,6R)-6-methylocta-1,7-dien-4-ol

(4R,6R)-6-methylocta-1,7-dien-4-ol (PubChem CID 138969313) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4R,6R)-6-methylocta-1,7-dien-4-ol.

Molecular Properties

Compound Name(4R,6R)-6-methylocta-1,7-dien-4-ol
PubChem CID138969313
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4R,6R)-6-methylocta-1,7-dien-4-ol
SMILESC=CC[C@@H](O)C[C@@H](C)C=C
InChIInChI=1S/C9H16O/c1-4-6-9(10)7-8(3)5-2/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9+/m0/s1
InChIKeyWBPPOAADZUMIFR-DTWKUNHWSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (4R,6R)-6-methylocta-1,7-dien-4-ol?
The IUPAC name of (4R,6R)-6-methylocta-1,7-dien-4-ol (CID 138969313) is (4R,6R)-6-methylocta-1,7-dien-4-ol.
What is the SMILES notation for (4R,6R)-6-methylocta-1,7-dien-4-ol?
The canonical SMILES for (4R,6R)-6-methylocta-1,7-dien-4-ol is C=CC[C@@H](O)C[C@@H](C)C=C.
What is the InChIKey of (4R,6R)-6-methylocta-1,7-dien-4-ol?
The InChIKey is WBPPOAADZUMIFR-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-9(10)7-8(3)5-2/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9+/m0/s1.
What are the key properties of (4R,6R)-6-methylocta-1,7-dien-4-ol?
(4R,6R)-6-methylocta-1,7-dien-4-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-methylocta-1,7-dien-4-ol is sourced from PubChem (CID 138969313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).