1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol

C12H22O — CID 142560306

IUPAC1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol
SMILESC=C(C)C(C)(C)C(O)C1CCCC1
InChIInChI=1S/C12H22O/c1-9(2)12(3,4)11(13)10-7-5-6-8-10/h10-11,13H,1,5-8H2,2-4H3
InChIKeyKEXBBYZLJCWTLB-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds3

About 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol

1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol (PubChem CID 142560306) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol
PubChem CID142560306
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol
SMILESC=C(C)C(C)(C)C(O)C1CCCC1
InChIInChI=1S/C12H22O/c1-9(2)12(3,4)11(13)10-7-5-6-8-10/h10-11,13H,1,5-8H2,2-4H3
InChIKeyKEXBBYZLJCWTLB-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol?
The IUPAC name of 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol (CID 142560306) is 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol.
What is the SMILES notation for 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol?
The canonical SMILES for 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol is C=C(C)C(C)(C)C(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol?
The InChIKey is KEXBBYZLJCWTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)12(3,4)11(13)10-7-5-6-8-10/h10-11,13H,1,5-8H2,2-4H3.
What are the key properties of 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol?
1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,2,3-trimethylbut-3-en-1-ol is sourced from PubChem (CID 142560306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).