1,5-dimethylcyclohepta-2,5-dien-1-ol

C9H14O — CID 143034749

IUPAC1,5-dimethylcyclohepta-2,5-dien-1-ol
SMILESCC1=CCC(C)(O)C=CC1
InChIInChI=1S/C9H14O/c1-8-4-3-6-9(2,10)7-5-8/h3,5-6,10H,4,7H2,1-2H3
InChIKeyOSLZMVTWTPJQOE-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds

About 1,5-dimethylcyclohepta-2,5-dien-1-ol

1,5-dimethylcyclohepta-2,5-dien-1-ol (PubChem CID 143034749) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1,5-dimethylcyclohepta-2,5-dien-1-ol.

Molecular Properties

Compound Name1,5-dimethylcyclohepta-2,5-dien-1-ol
PubChem CID143034749
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1,5-dimethylcyclohepta-2,5-dien-1-ol
SMILESCC1=CCC(C)(O)C=CC1
InChIInChI=1S/C9H14O/c1-8-4-3-6-9(2,10)7-5-8/h3,5-6,10H,4,7H2,1-2H3
InChIKeyOSLZMVTWTPJQOE-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-cyclohexyl-2-sulfanylideneimidazolidin-4-one;1,5-dimethylcyclohepta-2,5-dien-1-ol;ethane;propane
CID 143034748
(1R,3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol
CID 162927555
(1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene;(5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
CID 160681268
5,8,8-trimethylcycloundeca-1,5,9-triene-1-carboxylic acid
CID 74202895
2,7-dimethylcyclodeca-1,4,7-triene
CID 162884907
(1Z,4Z,7Z)-1,5,9,9-tetramethylcyclotrideca-1,4,7-triene
CID 175103476
(1R,2S,4Z,8E)-2,6,6,9-tetramethylcycloundeca-4,8-diene-1,2-diol
CID 177497934
1,4,8,12,12-pentamethyl-15-oxabicyclo[12.1.0]pentadeca-3,7,10-triene
CID 163114003
(3aS,6R,7E,10E,15aS)-6-hydroxy-6,10,14-trimethyl-3-methylidene-4,5,9,12,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2-one
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1,4-dimethylcyclohexa-1,4-diene
CID 4589179
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclohepta-2,5-dien-1-ol?
The IUPAC name of 1,5-dimethylcyclohepta-2,5-dien-1-ol (CID 143034749) is 1,5-dimethylcyclohepta-2,5-dien-1-ol.
What is the SMILES notation for 1,5-dimethylcyclohepta-2,5-dien-1-ol?
The canonical SMILES for 1,5-dimethylcyclohepta-2,5-dien-1-ol is CC1=CCC(C)(O)C=CC1.
What is the InChIKey of 1,5-dimethylcyclohepta-2,5-dien-1-ol?
The InChIKey is OSLZMVTWTPJQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-4-3-6-9(2,10)7-5-8/h3,5-6,10H,4,7H2,1-2H3.
What are the key properties of 1,5-dimethylcyclohepta-2,5-dien-1-ol?
1,5-dimethylcyclohepta-2,5-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylcyclohepta-2,5-dien-1-ol is sourced from PubChem (CID 143034749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).