2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol

C14H26O — CID 67463554

IUPAC2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol
SMILESCCCCC(C)(O)C1=CCCC(C)(C)C1
InChIInChI=1S/C14H26O/c1-5-6-10-14(4,15)12-8-7-9-13(2,3)11-12/h8,15H,5-7,9-11H2,1-4H3
InChIKeyMGXTWOWSIICXEH-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds4

About 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol

2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol (PubChem CID 67463554) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol.

Molecular Properties

Compound Name2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol
PubChem CID67463554
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol
SMILESCCCCC(C)(O)C1=CCCC(C)(C)C1
InChIInChI=1S/C14H26O/c1-5-6-10-14(4,15)12-8-7-9-13(2,3)11-12/h8,15H,5-7,9-11H2,1-4H3
InChIKeyMGXTWOWSIICXEH-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol?
The IUPAC name of 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol (CID 67463554) is 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol.
What is the SMILES notation for 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol?
The canonical SMILES for 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol is CCCCC(C)(O)C1=CCCC(C)(C)C1.
What is the InChIKey of 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol?
The InChIKey is MGXTWOWSIICXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-10-14(4,15)12-8-7-9-13(2,3)11-12/h8,15H,5-7,9-11H2,1-4H3.
What are the key properties of 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol?
2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylcyclohexen-1-yl)hexan-2-ol is sourced from PubChem (CID 67463554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).