2-methyl-2-prop-2-enylcyclopentane-1,3-diol

C9H16O2 — CID 130122188

IUPAC2-methyl-2-prop-2-enylcyclopentane-1,3-diol
SMILESC=CCC1(C)C(O)CCC1O
InChIInChI=1S/C9H16O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7-8,10-11H,1,4-6H2,2H3
InChIKeySROMGZRFQWPRAG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.08
Rot. Bonds2

About 2-methyl-2-prop-2-enylcyclopentane-1,3-diol

2-methyl-2-prop-2-enylcyclopentane-1,3-diol (PubChem CID 130122188) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enylcyclopentane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-prop-2-enylcyclopentane-1,3-diol
PubChem CID130122188
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-2-prop-2-enylcyclopentane-1,3-diol
SMILESC=CCC1(C)C(O)CCC1O
InChIInChI=1S/C9H16O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7-8,10-11H,1,4-6H2,2H3
InChIKeySROMGZRFQWPRAG-UHFFFAOYSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2R)-2-methyl-2-prop-2-enylcyclopentan-1-ol
CID 14617442
cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentan-1-ol
CID 14617443
2-Ethenyl-2-prop-2-enylcyclopentan-1-ol
CID 20501764
2-(Hydroxymethyl)-2-prop-2-enylcyclopentan-1-ol
CID 69999075
trans-(1R,2S)-2-methyl-2-prop-2-enylcyclopentan-1-ol
CID 70302333
1-[1-(1-Hydroxyprop-2-enyl)cyclopentyl]prop-2-en-1-ol
CID 70441091
2,2-Bis(prop-2-enyl)octane-1,3-diol
CID 88336759
2,2-Bis(prop-2-enyl)hexane-1,3-diol
CID 88847050
(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol
CID 138633945
Spiro[4.4]non-8-ene-1,4-diol
CID 141024285
8-Methylidenespiro[4.5]decane-1,4-diol
CID 141073739
7,7-Dimethyltrideca-1,12-diene-6,8-diol
CID 141249788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
The IUPAC name of 2-methyl-2-prop-2-enylcyclopentane-1,3-diol (CID 130122188) is 2-methyl-2-prop-2-enylcyclopentane-1,3-diol.
What is the SMILES notation for 2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
The canonical SMILES for 2-methyl-2-prop-2-enylcyclopentane-1,3-diol is C=CCC1(C)C(O)CCC1O.
What is the InChIKey of 2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
The InChIKey is SROMGZRFQWPRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7-8,10-11H,1,4-6H2,2H3.
What are the key properties of 2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
2-methyl-2-prop-2-enylcyclopentane-1,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enylcyclopentane-1,3-diol is sourced from PubChem (CID 130122188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).