1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol

C14H28O2 — CID 174965331

IUPAC1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol
SMILESCC(C)CCOC(O)CC1CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-11(2)8-9-16-14(15)10-13-6-4-12(3)5-7-13/h11-15H,4-10H2,1-3H3
InChIKeyLANQMRWDYDJBMB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.58
Rot. Bonds6

About 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol

1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol (PubChem CID 174965331) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol
PubChem CID174965331
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol
SMILESCC(C)CCOC(O)CC1CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-11(2)8-9-16-14(15)10-13-6-4-12(3)5-7-13/h11-15H,4-10H2,1-3H3
InChIKeyLANQMRWDYDJBMB-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499
1-(3-methylbutoxy)pentan-1-ol
CID 87974594
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
3-methylbutoxymethanediol
CID 54490534
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
3-methylbutoxymethylcyclopropane
CID 58970607
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
CID 88620872
5-methyl-1-(3-methylcyclopentyl)hexan-1-ol
CID 83161755
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 130596537

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol?
The IUPAC name of 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol (CID 174965331) is 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol is CC(C)CCOC(O)CC1CCC(C)CC1.
What is the InChIKey of 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol?
The InChIKey is LANQMRWDYDJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)8-9-16-14(15)10-13-6-4-12(3)5-7-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol?
1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol has a molecular weight of 228.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 174965331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).