1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol

C12H18O — CID 121015901

IUPAC1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol
SMILESC=CC1=C(C(O)C(C)C=C)CCC1
InChIInChI=1S/C12H18O/c1-4-9(3)12(13)11-8-6-7-10(11)5-2/h4-5,9,12-13H,1-2,6-8H2,3H3
InChIKeyAQMGOHIINBOYRQ-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol

1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol (PubChem CID 121015901) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol
PubChem CID121015901
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol
SMILESC=CC1=C(C(O)C(C)C=C)CCC1
InChIInChI=1S/C12H18O/c1-4-9(3)12(13)11-8-6-7-10(11)5-2/h4-5,9,12-13H,1-2,6-8H2,3H3
InChIKeyAQMGOHIINBOYRQ-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.84
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

1-ethenyl-2-methylcyclopentene
CID 123848216
(1R,2R)-2-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ol
CID 51032002
1-(2-ethenylcyclopenten-1-yl)ethenamine
CID 143285924
3,4-dimethylhexa-1,5-diene
CID 521244
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
1-(4-bromophenyl)-2-methylbut-3-en-1-ol
CID 14111207
ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene
CID 144652064
1-(3-aminophenyl)-2-methylbut-3-en-1-ol
CID 142652778
(2R,3R,4S,5S)-3,5-dimethylhept-6-ene-2,4-diol
CID 100972297
(2E,4E,6S,7R)-6-hydroxy-7-methylnona-2,4,8-trienal
CID 10870472
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol?
The IUPAC name of 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol (CID 121015901) is 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol?
The canonical SMILES for 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol is C=CC1=C(C(O)C(C)C=C)CCC1.
What is the InChIKey of 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol?
The InChIKey is AQMGOHIINBOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-9(3)12(13)11-8-6-7-10(11)5-2/h4-5,9,12-13H,1-2,6-8H2,3H3.
What are the key properties of 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol?
1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol has a molecular weight of 178.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 121015901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).