3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol

C15H26O — CID 104809755

IUPAC3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol
SMILESCC#CCCC1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H26O/c1-6-7-8-9-15(16)11-13(2,3)10-14(4,5)12-15/h16H,8-12H2,1-5H3
InChIKeyLVPMWAWJQIKTOR-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.76
Rot. Bonds2

About 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol

3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol (PubChem CID 104809755) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol
PubChem CID104809755
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol
SMILESCC#CCCC1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H26O/c1-6-7-8-9-15(16)11-13(2,3)10-14(4,5)12-15/h16H,8-12H2,1-5H3
InChIKeyLVPMWAWJQIKTOR-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pent-3-ynylpiperidin-4-ol
CID 104809323
3-pent-3-ynylazetidin-3-ol
CID 104809578
8-pent-3-ynylspiro[3.4]octan-8-ol
CID 127011833
1-ethyl-3,3,5,5-tetramethylcyclohexan-1-ol
CID 66847688
[(2S,3S)-3-methyl-3-pent-3-ynyloxiran-2-yl]methanol
CID 15178645
2,2-dimethyl-1-pent-3-ynylcyclopentan-1-ol
CID 104809607
3,3,5,5-tetramethyl-N-pent-3-ynylcyclohexan-1-amine
CID 104807528
8-pent-3-ynyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-ol
CID 134976140
(1-pent-3-ynylcyclopropyl)methanamine
CID 130515221
2-methyl-2-pent-3-ynylpyrrolidine
CID 104806320
3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 112682700
(1-pent-3-ynylcyclopentyl)methanamine
CID 126977362

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol?
The IUPAC name of 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol (CID 104809755) is 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol?
The canonical SMILES for 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol is CC#CCCC1(O)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol?
The InChIKey is LVPMWAWJQIKTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-6-7-8-9-15(16)11-13(2,3)10-14(4,5)12-15/h16H,8-12H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol?
3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-pent-3-ynylcyclohexan-1-ol is sourced from PubChem (CID 104809755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).