2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol

C17H34O2 — CID 91460729

IUPAC2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol
SMILESCC(C)CC(C)C(O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H34O2/c1-11(2)9-14(6)17(18)19-16-10-13(5)7-8-15(16)12(3)4/h11-18H,7-10H2,1-6H3
InChIKeyUMUCEFIQKPZBFN-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.46
Rot. Bonds6

About 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol

2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol (PubChem CID 91460729) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol
PubChem CID91460729
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol
SMILESCC(C)CC(C)C(O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H34O2/c1-11(2)9-14(6)17(18)19-16-10-13(5)7-8-15(16)12(3)4/h11-18H,7-10H2,1-6H3
InChIKeyUMUCEFIQKPZBFN-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-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

(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol?
The IUPAC name of 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol (CID 91460729) is 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol?
The canonical SMILES for 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol is CC(C)CC(C)C(O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol?
The InChIKey is UMUCEFIQKPZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-11(2)9-14(6)17(18)19-16-10-13(5)7-8-15(16)12(3)4/h11-18H,7-10H2,1-6H3.
What are the key properties of 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol?
2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-ol is sourced from PubChem (CID 91460729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).