4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol

C13H22O — CID 130125153

IUPAC4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol
SMILESC=C=C(C1CCCC1)C(O)C(C)(C)C
InChIInChI=1S/C13H22O/c1-5-11(10-8-6-7-9-10)12(14)13(2,3)4/h10,12,14H,1,6-9H2,2-4H3
InChIKeyXUOKKXULZGCIIR-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.29
Rot. Bonds2

About 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol

4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol (PubChem CID 130125153) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol
PubChem CID130125153
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol
SMILESC=C=C(C1CCCC1)C(O)C(C)(C)C
InChIInChI=1S/C13H22O/c1-5-11(10-8-6-7-9-10)12(14)13(2,3)4/h10,12,14H,1,6-9H2,2-4H3
InChIKeyXUOKKXULZGCIIR-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol?
The IUPAC name of 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol (CID 130125153) is 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol.
What is the SMILES notation for 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol?
The canonical SMILES for 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol is C=C=C(C1CCCC1)C(O)C(C)(C)C.
What is the InChIKey of 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol?
The InChIKey is XUOKKXULZGCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-11(10-8-6-7-9-10)12(14)13(2,3)4/h10,12,14H,1,6-9H2,2-4H3.
What are the key properties of 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol?
4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol has a molecular weight of 194.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2,2-dimethylhexa-4,5-dien-3-ol is sourced from PubChem (CID 130125153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).