3-methyl-1-prop-2-enylcyclopentan-1-ol

C9H16O — CID 10034708

IUPAC3-methyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CCC1(O)CCC(C)C1
InChIInChI=1S/C9H16O/c1-3-5-9(10)6-4-8(2)7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyXRBKXPDKGCDRHF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.11
Rot. Bonds2

About 3-methyl-1-prop-2-enylcyclopentan-1-ol

3-methyl-1-prop-2-enylcyclopentan-1-ol (PubChem CID 10034708) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Name3-methyl-1-prop-2-enylcyclopentan-1-ol
PubChem CID10034708
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-methyl-1-prop-2-enylcyclopentan-1-ol
SMILESC=CCC1(O)CCC(C)C1
InChIInChI=1S/C9H16O/c1-3-5-9(10)6-4-8(2)7-9/h3,8,10H,1,4-7H2,2H3
InChIKeyXRBKXPDKGCDRHF-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.11
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-methyl-1-prop-2-enylcyclopentan-1-ol?
The IUPAC name of 3-methyl-1-prop-2-enylcyclopentan-1-ol (CID 10034708) is 3-methyl-1-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for 3-methyl-1-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for 3-methyl-1-prop-2-enylcyclopentan-1-ol is C=CCC1(O)CCC(C)C1.
What is the InChIKey of 3-methyl-1-prop-2-enylcyclopentan-1-ol?
The InChIKey is XRBKXPDKGCDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-9(10)6-4-8(2)7-9/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enylcyclopentan-1-ol?
3-methyl-1-prop-2-enylcyclopentan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 10034708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).