[3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol

C11H20O2 — CID 142115859

IUPAC[3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol
SMILESC=C1CCC(CC(C)C)(C(O)O)C1
InChIInChI=1S/C11H20O2/c1-8(2)6-11(10(12)13)5-4-9(3)7-11/h8,10,12-13H,3-7H2,1-2H3
InChIKeyRRXNFPCTNCPHEB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.07
Rot. Bonds3

About [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol

[3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol (PubChem CID 142115859) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol.

Molecular Properties

Compound Name[3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol
PubChem CID142115859
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol
SMILESC=C1CCC(CC(C)C)(C(O)O)C1
InChIInChI=1S/C11H20O2/c1-8(2)6-11(10(12)13)5-4-9(3)7-11/h8,10,12-13H,3-7H2,1-2H3
InChIKeyRRXNFPCTNCPHEB-UHFFFAOYSA-N
XLogP2.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol
CID 162420337
2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]ethan-1-ol
CID 162420349
gamma-Campholenal
CID 14593276
2-Ethyl-5-methylideneheptane-1,1-diol
CID 19424545
2-Ethyl-6-methylhept-6-ene-1,1-diol
CID 123524269
2-(2-Methylprop-2-enyl)hexane-1,1-diol
CID 123752365
2-[(1R,2S)-1-[(2R)-butan-2-yl]-2-prop-1-en-2-ylcyclopentyl]-1-methoxyethanol
CID 132031511
2-[(1R)-2-(hydroxymethyl)-2-methyl-3-methylidenecyclopentyl]ethanol;methane
CID 141793501
1-Cyclopentyl-2,2,3-trimethylbut-3-en-1-ol
CID 142560306
2-(1-Methyl-2-methylidene-3-prop-1-en-2-ylcyclopentyl)ethanol
CID 145800148
1-Methoxy-3-(3-methylidenecyclopentyl)propan-1-ol
CID 163940599
2-(1,2-Dimethyl-3-methylidenecyclopentyl)ethanol
CID 166520724

Frequently Asked Questions

What is the IUPAC name of [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol?
The IUPAC name of [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol (CID 142115859) is [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol.
What is the SMILES notation for [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol?
The canonical SMILES for [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol is C=C1CCC(CC(C)C)(C(O)O)C1.
What is the InChIKey of [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol?
The InChIKey is RRXNFPCTNCPHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)6-11(10(12)13)5-4-9(3)7-11/h8,10,12-13H,3-7H2,1-2H3.
What are the key properties of [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol?
[3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol has a molecular weight of 184.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylidene-1-(2-methylpropyl)cyclopentyl]methanediol is sourced from PubChem (CID 142115859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).