1,1-dimethoxy-2-methylcyclohexane

C9H18O2 — CID 10374699

IUPAC1,1-dimethoxy-2-methylcyclohexane
SMILESCOC1(OC)CCCCC1C
InChIInChI=1S/C9H18O2/c1-8-6-4-5-7-9(8,10-2)11-3/h8H,4-7H2,1-3H3
InChIKeyPONBMXDRVCGNEI-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds2

About 1,1-dimethoxy-2-methylcyclohexane

1,1-dimethoxy-2-methylcyclohexane (PubChem CID 10374699) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methylcyclohexane.

Molecular Properties

Compound Name1,1-dimethoxy-2-methylcyclohexane
PubChem CID10374699
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1,1-dimethoxy-2-methylcyclohexane
SMILESCOC1(OC)CCCCC1C
InChIInChI=1S/C9H18O2/c1-8-6-4-5-7-9(8,10-2)11-3/h8H,4-7H2,1-3H3
InChIKeyPONBMXDRVCGNEI-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
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

(Trimethoxymethyl)cyclohexane
CID 6950209
Cyclohexane, 3-(1,1-dimethoxyethyl)-1,1-dimethyl-
CID 14817847
Cyclohexane, (dimethoxymethyl)-
CID 10942729
Cyclohexylacetaldehyde dimethyl acetal
CID 11052116
1,1-Dimethoxy-4-methylcyclohexane
CID 11805038
1,1-Dimethoxy-3-methylcyclohexane
CID 13240797
4-Ethylcyclohexanone dimethyl acetal
CID 15185624
Carbonic acid, ethyl cyclohexylmethyl ester
CID 23388344
Carbonic acid, propyl cyclohexylmethyl ester
CID 54355814
Carbonic acid, butyl cyclohexylmethyl ester
CID 68436539
Carbonic acid, isobutyl cyclohexylmethyl ester
CID 68952773
((Methoxymethoxy)methyl)cyclohexane
CID 13203846

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-methylcyclohexane?
The IUPAC name of 1,1-dimethoxy-2-methylcyclohexane (CID 10374699) is 1,1-dimethoxy-2-methylcyclohexane.
What is the SMILES notation for 1,1-dimethoxy-2-methylcyclohexane?
The canonical SMILES for 1,1-dimethoxy-2-methylcyclohexane is COC1(OC)CCCCC1C.
What is the InChIKey of 1,1-dimethoxy-2-methylcyclohexane?
The InChIKey is PONBMXDRVCGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8-6-4-5-7-9(8,10-2)11-3/h8H,4-7H2,1-3H3.
What are the key properties of 1,1-dimethoxy-2-methylcyclohexane?
1,1-dimethoxy-2-methylcyclohexane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methylcyclohexane is sourced from PubChem (CID 10374699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).