(1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol

C15H26O — CID 138633999

IUPAC(1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol
SMILESC=C(C)CC1(CC(=C)C)CCC(C)(C)[C@@H]1O
InChIInChI=1S/C15H26O/c1-11(2)9-15(10-12(3)4)8-7-14(5,6)13(15)16/h13,16H,1,3,7-10H2,2,4-6H3/t13-/m0/s1
InChIKeyCEPPTTOLBSMUME-ZDUSSCGKSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds4

About (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol

(1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol (PubChem CID 138633999) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol
PubChem CID138633999
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol
SMILESC=C(C)CC1(CC(=C)C)CCC(C)(C)[C@@H]1O
InChIInChI=1S/C15H26O/c1-11(2)9-15(10-12(3)4)8-7-14(5,6)13(15)16/h13,16H,1,3,7-10H2,2,4-6H3/t13-/m0/s1
InChIKeyCEPPTTOLBSMUME-ZDUSSCGKSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
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-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
The IUPAC name of (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol (CID 138633999) is (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol.
What is the SMILES notation for (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
The canonical SMILES for (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol is C=C(C)CC1(CC(=C)C)CCC(C)(C)[C@@H]1O.
What is the InChIKey of (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
The InChIKey is CEPPTTOLBSMUME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)9-15(10-12(3)4)8-7-14(5,6)13(15)16/h13,16H,1,3,7-10H2,2,4-6H3/t13-/m0/s1.
What are the key properties of (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol?
(1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol is sourced from PubChem (CID 138633999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).