1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol

C17H22O — CID 154346301

IUPAC1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol
SMILESC=CC#CC(C1CCCCC1)C1(O)C=CC=CC1
InChIInChI=1S/C17H22O/c1-2-3-12-16(15-10-6-4-7-11-15)17(18)13-8-5-9-14-17/h2,5,8-9,13,15-16,18H,1,4,6-7,10-11,14H2
InChIKeyBJOUYCUOLXVEEZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.62
Rot. Bonds2

About 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol

1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol (PubChem CID 154346301) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol
PubChem CID154346301
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol
SMILESC=CC#CC(C1CCCCC1)C1(O)C=CC=CC1
InChIInChI=1S/C17H22O/c1-2-3-12-16(15-10-6-4-7-11-15)17(18)13-8-5-9-14-17/h2,5,8-9,13,15-16,18H,1,4,6-7,10-11,14H2
InChIKeyBJOUYCUOLXVEEZ-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

1-ethenylcyclohexa-2,4-dien-1-ol
CID 66814582
1-(1-hydroxy-2-methylpropyl)cyclohexa-2,4-dien-1-ol
CID 67785895
[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol
CID 141254787
1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one
CID 161232949
5-cyclohexyl-5-(hydroperoxymethyl)cyclohexa-1,3-diene
CID 22590644
(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 139248849
1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
CID 18921248
1-cyclooctylbut-3-en-1-amine
CID 80604015
(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
1-cyclohexylethyl(prop-1-en-2-yl)silane
CID 173389747
1-(4-propan-2-ylcyclohexen-1-yl)cyclohexa-2,4-dien-1-ol
CID 151640191
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol (CID 154346301) is 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol is C=CC#CC(C1CCCCC1)C1(O)C=CC=CC1.
What is the InChIKey of 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is BJOUYCUOLXVEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-2-3-12-16(15-10-6-4-7-11-15)17(18)13-8-5-9-14-17/h2,5,8-9,13,15-16,18H,1,4,6-7,10-11,14H2.
What are the key properties of 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol?
1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154346301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).