2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol

C16H32O — CID 71057420

IUPAC2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol
SMILESCC(C1CC(CC(C)(C)C)CC1O)C(C)(C)C
InChIInChI=1S/C16H32O/c1-11(16(5,6)7)13-8-12(9-14(13)17)10-15(2,3)4/h11-14,17H,8-10H2,1-7H3
InChIKeyLDAMKAYGASGNEZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP4.49
Rot. Bonds2

About 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol

2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol (PubChem CID 71057420) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol
PubChem CID71057420
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol
SMILESCC(C1CC(CC(C)(C)C)CC1O)C(C)(C)C
InChIInChI=1S/C16H32O/c1-11(16(5,6)7)13-8-12(9-14(13)17)10-15(2,3)4/h11-14,17H,8-10H2,1-7H3
InChIKeyLDAMKAYGASGNEZ-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol (CID 71057420) is 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol is CC(C1CC(CC(C)(C)C)CC1O)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol?
The InChIKey is LDAMKAYGASGNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-11(16(5,6)7)13-8-12(9-14(13)17)10-15(2,3)4/h11-14,17H,8-10H2,1-7H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol?
2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol has a molecular weight of 240.43 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol is sourced from PubChem (CID 71057420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).