3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol

C14H26O — CID 22914135

IUPAC3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol
SMILESC=CCC(C(C)O)C1CCC(C)C1(C)C
InChIInChI=1S/C14H26O/c1-6-7-12(11(3)15)13-9-8-10(2)14(13,4)5/h6,10-13,15H,1,7-9H2,2-5H3
InChIKeyNTKNIPMBTABCFT-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.63
Rot. Bonds4

About 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol

3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol (PubChem CID 22914135) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol.

Molecular Properties

Compound Name3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol
PubChem CID22914135
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol
SMILESC=CCC(C(C)O)C1CCC(C)C1(C)C
InChIInChI=1S/C14H26O/c1-6-7-12(11(3)15)13-9-8-10(2)14(13,4)5/h6,10-13,15H,1,7-9H2,2-5H3
InChIKeyNTKNIPMBTABCFT-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.63
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 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol?
The IUPAC name of 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol (CID 22914135) is 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol.
What is the SMILES notation for 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol?
The canonical SMILES for 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol is C=CCC(C(C)O)C1CCC(C)C1(C)C.
What is the InChIKey of 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol?
The InChIKey is NTKNIPMBTABCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-7-12(11(3)15)13-9-8-10(2)14(13,4)5/h6,10-13,15H,1,7-9H2,2-5H3.
What are the key properties of 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol?
3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3-trimethylcyclopentyl)hex-5-en-2-ol is sourced from PubChem (CID 22914135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).