(3-ethylcyclopenten-1-yl)methanol

C8H14O — CID 22134204

IUPAC(3-ethylcyclopenten-1-yl)methanol
SMILESCCC1C=C(CO)CC1
InChIInChI=1S/C8H14O/c1-2-7-3-4-8(5-7)6-9/h5,7,9H,2-4,6H2,1H3
InChIKeyTYMGEFQSZDNDBH-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.73
Rot. Bonds2

About (3-ethylcyclopenten-1-yl)methanol

(3-ethylcyclopenten-1-yl)methanol (PubChem CID 22134204) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3-ethylcyclopenten-1-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclopenten-1-yl)methanol
PubChem CID22134204
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3-ethylcyclopenten-1-yl)methanol
SMILESCCC1C=C(CO)CC1
InChIInChI=1S/C8H14O/c1-2-7-3-4-8(5-7)6-9/h5,7,9H,2-4,6H2,1H3
InChIKeyTYMGEFQSZDNDBH-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopenten-1-yl)methanol?
The IUPAC name of (3-ethylcyclopenten-1-yl)methanol (CID 22134204) is (3-ethylcyclopenten-1-yl)methanol.
What is the SMILES notation for (3-ethylcyclopenten-1-yl)methanol?
The canonical SMILES for (3-ethylcyclopenten-1-yl)methanol is CCC1C=C(CO)CC1.
What is the InChIKey of (3-ethylcyclopenten-1-yl)methanol?
The InChIKey is TYMGEFQSZDNDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-7-3-4-8(5-7)6-9/h5,7,9H,2-4,6H2,1H3.
What are the key properties of (3-ethylcyclopenten-1-yl)methanol?
(3-ethylcyclopenten-1-yl)methanol has a molecular weight of 126.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopenten-1-yl)methanol is sourced from PubChem (CID 22134204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).