cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol

C13H24O2 — CID 116755683

IUPACcyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(C(O)C2CC2)CCC(C)(C)CC1
InChIInChI=1S/C13H24O2/c1-12(2)6-8-13(15-3,9-7-12)11(14)10-4-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyNPJOKSWVVXIJCZ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds3

About cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol

cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol (PubChem CID 116755683) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol
PubChem CID116755683
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namecyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCOC1(C(O)C2CC2)CCC(C)(C)CC1
InChIInChI=1S/C13H24O2/c1-12(2)6-8-13(15-3,9-7-12)11(14)10-4-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyNPJOKSWVVXIJCZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(1-methoxycycloheptyl)methanol
CID 116755940
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol
CID 116755601
(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol
CID 116710410
N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769652
(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
CID 116754065
[cycloheptyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105278004
1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769246
[(3,5-dimethylcyclohexyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105278079
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol
CID 116755710

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The IUPAC name of cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol (CID 116755683) is cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol is COC1(C(O)C2CC2)CCC(C)(C)CC1.
What is the InChIKey of cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The InChIKey is NPJOKSWVVXIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)6-8-13(15-3,9-7-12)11(14)10-4-5-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 116755683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).