3-(2,2-dimethoxycyclohexyl)propan-1-ol

C11H22O3 — CID 10352822

IUPAC3-(2,2-dimethoxycyclohexyl)propan-1-ol
SMILESCOC1(OC)CCCCC1CCCO
InChIInChI=1S/C11H22O3/c1-13-11(14-2)8-4-3-6-10(11)7-5-9-12/h10,12H,3-9H2,1-2H3
InChIKeyWCBNFGTXQLPVSU-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.94
Rot. Bonds5

About 3-(2,2-dimethoxycyclohexyl)propan-1-ol

3-(2,2-dimethoxycyclohexyl)propan-1-ol (PubChem CID 10352822) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-(2,2-dimethoxycyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethoxycyclohexyl)propan-1-ol
PubChem CID10352822
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-(2,2-dimethoxycyclohexyl)propan-1-ol
SMILESCOC1(OC)CCCCC1CCCO
InChIInChI=1S/C11H22O3/c1-13-11(14-2)8-4-3-6-10(11)7-5-9-12/h10,12H,3-9H2,1-2H3
InChIKeyWCBNFGTXQLPVSU-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethoxy-2-octylcyclododecane
CID 134883102
1-cyclohexyl-2-(3-hydroxypropyl)cyclohexan-1-ol
CID 156755741
2-hexyl-1,1-dimethoxycyclobutane
CID 11412991
2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
CID 11240783
2-butyl-1,1-bis(tert-butylperoxy)cyclohexane
CID 87794362
3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
CID 95004190
3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol
CID 59921249
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride
CID 53396844
1-hydroperoxy-2-iodo-1-methoxycyclohexane
CID 102160860
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxycyclohexyl)propan-1-ol?
The IUPAC name of 3-(2,2-dimethoxycyclohexyl)propan-1-ol (CID 10352822) is 3-(2,2-dimethoxycyclohexyl)propan-1-ol.
What is the SMILES notation for 3-(2,2-dimethoxycyclohexyl)propan-1-ol?
The canonical SMILES for 3-(2,2-dimethoxycyclohexyl)propan-1-ol is COC1(OC)CCCCC1CCCO.
What is the InChIKey of 3-(2,2-dimethoxycyclohexyl)propan-1-ol?
The InChIKey is WCBNFGTXQLPVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-13-11(14-2)8-4-3-6-10(11)7-5-9-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxycyclohexyl)propan-1-ol?
3-(2,2-dimethoxycyclohexyl)propan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxycyclohexyl)propan-1-ol is sourced from PubChem (CID 10352822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).