4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol

C12H20O — CID 10921128

IUPAC4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol
SMILESCCCCC/C=C/C1C=CC(O)C1
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h6-9,11-13H,2-5,10H2,1H3/b7-6+
InChIKeyCOOSOJWECHWTJX-VOTSOKGWSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds5

About 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol

4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol (PubChem CID 10921128) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol
PubChem CID10921128
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol
SMILESCCCCC/C=C/C1C=CC(O)C1
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h6-9,11-13H,2-5,10H2,1H3/b7-6+
InChIKeyCOOSOJWECHWTJX-VOTSOKGWSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
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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Related Compounds

3-ethenyl-5-[(E)-oct-1-enyl]cyclopentene
CID 123447778
4-hept-1-enyloxetan-2-ol
CID 140814520
4-[(1E,6E)-7-(4-hydroxy-5-methoxycyclohex-2-en-1-yl)hepta-1,6-dienyl]-6-methoxycyclohex-2-en-1-ol
CID 157095843
3-[(E)-oct-1-enyl]cyclohexene
CID 12576320
cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol
CID 72704279
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897
(3R)-3-[(E)-oct-1-enyl]cyclopenten-1-ol
CID 134894559
3-[(E)-hex-1-enyl]cyclohexene
CID 5358331
3-[(Z)-hex-1-enyl]cyclohexene
CID 177486047
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
(3S,4S)-3-oct-1-enyl-4-oct-2-enylcyclopentene
CID 57204921
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol?
The IUPAC name of 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol (CID 10921128) is 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol?
The canonical SMILES for 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol is CCCCC/C=C/C1C=CC(O)C1.
What is the InChIKey of 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol?
The InChIKey is COOSOJWECHWTJX-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-11-8-9-12(13)10-11/h6-9,11-13H,2-5,10H2,1H3/b7-6+.
What are the key properties of 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol?
4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hept-1-enyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 10921128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).