(E)-6-methyloct-4-en-1-ol

C9H18O — CID 12018915

IUPAC(E)-6-methyloct-4-en-1-ol
SMILESCCC(C)/C=C/CCCO
InChIInChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyDMRUCQQYLQKPNB-FNORWQNLSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds5

About (E)-6-methyloct-4-en-1-ol

(E)-6-methyloct-4-en-1-ol (PubChem CID 12018915) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-6-methyloct-4-en-1-ol.

Molecular Properties

Compound Name(E)-6-methyloct-4-en-1-ol
PubChem CID12018915
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-6-methyloct-4-en-1-ol
SMILESCCC(C)/C=C/CCCO
InChIInChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyDMRUCQQYLQKPNB-FNORWQNLSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methyloct-4-en-1-ol?
The IUPAC name of (E)-6-methyloct-4-en-1-ol (CID 12018915) is (E)-6-methyloct-4-en-1-ol.
What is the SMILES notation for (E)-6-methyloct-4-en-1-ol?
The canonical SMILES for (E)-6-methyloct-4-en-1-ol is CCC(C)/C=C/CCCO.
What is the InChIKey of (E)-6-methyloct-4-en-1-ol?
The InChIKey is DMRUCQQYLQKPNB-FNORWQNLSA-N. The full InChI is InChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of (E)-6-methyloct-4-en-1-ol?
(E)-6-methyloct-4-en-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyloct-4-en-1-ol is sourced from PubChem (CID 12018915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).