(E)-1-(cyclopenten-1-yl)but-2-en-1-ol

C9H14O — CID 21192053

IUPAC(E)-1-(cyclopenten-1-yl)but-2-en-1-ol
SMILESC/C=C/C(O)C1=CCCC1
InChIInChI=1S/C9H14O/c1-2-5-9(10)8-6-3-4-7-8/h2,5-6,9-10H,3-4,7H2,1H3/b5-2+
InChIKeyBUGMCEYBRUXGKG-GORDUTHDSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds2

About (E)-1-(cyclopenten-1-yl)but-2-en-1-ol

(E)-1-(cyclopenten-1-yl)but-2-en-1-ol (PubChem CID 21192053) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (E)-1-(cyclopenten-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(cyclopenten-1-yl)but-2-en-1-ol
PubChem CID21192053
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(E)-1-(cyclopenten-1-yl)but-2-en-1-ol
SMILESC/C=C/C(O)C1=CCCC1
InChIInChI=1S/C9H14O/c1-2-5-9(10)8-6-3-4-7-8/h2,5-6,9-10H,3-4,7H2,1H3/b5-2+
InChIKeyBUGMCEYBRUXGKG-GORDUTHDSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

2-Octen-4-ol, (2E)-
CID 5366203
4-Methyldec-3-en-5-ol
CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
CID 89487
4-Methyl-3-decen-5-ol
CID 163336
Cyclooct-2-en-1-ol
CID 5380758
1-Cyclopentene-1-methanol
CID 11051584
2-Methyl-2-cyclohexen-1-ol
CID 300312
cis-Piperitenol
CID 6429050
CID 89274
CID 89274
(E)-2-Nonene-1,4-diol
CID 14106146
1,4-Dihydroxy-2-nonene
CID 54541195
(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol
CID 5366014

Frequently Asked Questions

What is the IUPAC name of (E)-1-(cyclopenten-1-yl)but-2-en-1-ol?
The IUPAC name of (E)-1-(cyclopenten-1-yl)but-2-en-1-ol (CID 21192053) is (E)-1-(cyclopenten-1-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-1-(cyclopenten-1-yl)but-2-en-1-ol?
The canonical SMILES for (E)-1-(cyclopenten-1-yl)but-2-en-1-ol is C/C=C/C(O)C1=CCCC1.
What is the InChIKey of (E)-1-(cyclopenten-1-yl)but-2-en-1-ol?
The InChIKey is BUGMCEYBRUXGKG-GORDUTHDSA-N. The full InChI is InChI=1S/C9H14O/c1-2-5-9(10)8-6-3-4-7-8/h2,5-6,9-10H,3-4,7H2,1H3/b5-2+.
What are the key properties of (E)-1-(cyclopenten-1-yl)but-2-en-1-ol?
(E)-1-(cyclopenten-1-yl)but-2-en-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(cyclopenten-1-yl)but-2-en-1-ol is sourced from PubChem (CID 21192053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).