2-cyclopentyl-3-methylbut-3-en-2-ol

C10H18O — CID 20588627

IUPAC2-cyclopentyl-3-methylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)C1CCCC1
InChIInChI=1S/C10H18O/c1-8(2)10(3,11)9-6-4-5-7-9/h9,11H,1,4-7H2,2-3H3
InChIKeySWZXDXSCTYRLJH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds2

About 2-cyclopentyl-3-methylbut-3-en-2-ol

2-cyclopentyl-3-methylbut-3-en-2-ol (PubChem CID 20588627) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-cyclopentyl-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name2-cyclopentyl-3-methylbut-3-en-2-ol
PubChem CID20588627
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-cyclopentyl-3-methylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)C1CCCC1
InChIInChI=1S/C10H18O/c1-8(2)10(3,11)9-6-4-5-7-9/h9,11H,1,4-7H2,2-3H3
InChIKeySWZXDXSCTYRLJH-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
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 2-cyclopentyl-3-methylbut-3-en-2-ol?
The IUPAC name of 2-cyclopentyl-3-methylbut-3-en-2-ol (CID 20588627) is 2-cyclopentyl-3-methylbut-3-en-2-ol.
What is the SMILES notation for 2-cyclopentyl-3-methylbut-3-en-2-ol?
The canonical SMILES for 2-cyclopentyl-3-methylbut-3-en-2-ol is C=C(C)C(C)(O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-methylbut-3-en-2-ol?
The InChIKey is SWZXDXSCTYRLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)10(3,11)9-6-4-5-7-9/h9,11H,1,4-7H2,2-3H3.
What are the key properties of 2-cyclopentyl-3-methylbut-3-en-2-ol?
2-cyclopentyl-3-methylbut-3-en-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methylbut-3-en-2-ol is sourced from PubChem (CID 20588627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).