(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol

C9H12O — CID 143207326

IUPAC(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
SMILESC/C1=C/C/C=C(/O)C=CC1
InChIInChI=1S/C9H12O/c1-8-4-2-6-9(10)7-3-5-8/h2,5-7,10H,3-4H2,1H3/b6-2?,8-5-,9-7+
InChIKeyBXQQQYACCXEDPF-QVZIHVPKSA-N
MW136.19 g/mol
LogP2.72
Rot. Bonds

About (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol

(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol (PubChem CID 143207326) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol.

Molecular Properties

Compound Name(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
PubChem CID143207326
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
SMILESC/C1=C/C/C=C(/O)C=CC1
InChIInChI=1S/C9H12O/c1-8-4-2-6-9(10)7-3-5-8/h2,5-7,10H,3-4H2,1H3/b6-2?,8-5-,9-7+
InChIKeyBXQQQYACCXEDPF-QVZIHVPKSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.72
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 (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol?
The IUPAC name of (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol (CID 143207326) is (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol.
What is the SMILES notation for (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol?
The canonical SMILES for (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol is C/C1=C/C/C=C(/O)C=CC1.
What is the InChIKey of (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol?
The InChIKey is BXQQQYACCXEDPF-QVZIHVPKSA-N. The full InChI is InChI=1S/C9H12O/c1-8-4-2-6-9(10)7-3-5-8/h2,5-7,10H,3-4H2,1H3/b6-2?,8-5-,9-7+.
What are the key properties of (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol?
(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol has a molecular weight of 136.19 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol is sourced from PubChem (CID 143207326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).