(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol

C13H22O — CID 138633945

IUPAC(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol
SMILESC=C(C)CC1(CC(=C)C)CCC[C@@H]1O
InChIInChI=1S/C13H22O/c1-10(2)8-13(9-11(3)4)7-5-6-12(13)14/h12,14H,1,3,5-9H2,2,4H3/t12-/m0/s1
InChIKeySORPOEQXQXSXJW-LBPRGKRZSA-N
MW194.32 g/mol
LogP3.45
Rot. Bonds4

About (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol

(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol (PubChem CID 138633945) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol
PubChem CID138633945
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol
SMILESC=C(C)CC1(CC(=C)C)CCC[C@@H]1O
InChIInChI=1S/C13H22O/c1-10(2)8-13(9-11(3)4)7-5-6-12(13)14/h12,14H,1,3,5-9H2,2,4H3/t12-/m0/s1
InChIKeySORPOEQXQXSXJW-LBPRGKRZSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.45
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 (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
The IUPAC name of (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol (CID 138633945) is (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol.
What is the SMILES notation for (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
The canonical SMILES for (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol is C=C(C)CC1(CC(=C)C)CCC[C@@H]1O.
What is the InChIKey of (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
The InChIKey is SORPOEQXQXSXJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22O/c1-10(2)8-13(9-11(3)4)7-5-6-12(13)14/h12,14H,1,3,5-9H2,2,4H3/t12-/m0/s1.
What are the key properties of (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol is sourced from PubChem (CID 138633945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).