1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane

C19H36O2 — CID 19906661

IUPAC1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane
SMILESCOCC(COC)(C1(C)CCCCC1)C1(C)CCCCC1
InChIInChI=1S/C19H36O2/c1-17(11-7-5-8-12-17)19(15-20-3,16-21-4)18(2)13-9-6-10-14-18/h5-16H2,1-4H3
InChIKeyHGRSVCKSAHBEJJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.21
Rot. Bonds6

About 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane

1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane (PubChem CID 19906661) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane.

Molecular Properties

Compound Name1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane
PubChem CID19906661
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane
SMILESCOCC(COC)(C1(C)CCCCC1)C1(C)CCCCC1
InChIInChI=1S/C19H36O2/c1-17(11-7-5-8-12-17)19(15-20-3,16-21-4)18(2)13-9-6-10-14-18/h5-16H2,1-4H3
InChIKeyHGRSVCKSAHBEJJ-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bis-[(1-methyl-cyclohexyl)-methyl] ether
CID 22151670
2-Isobutyl-2-pinanyl-1,3-dimethoxypropane
CID 172994195
[5-Fluoro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
CID 174162021
[5-Fluoro-1-methoxy-2-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octan-2-yl]cyclohexane
CID 174162253
3,3-Dibutyl-2,4-dioxa-3-stannaspiro[5.5]undecane
CID 16683407
1-[3-(7-Methoxyheptoxy)propyl]-1-propylcyclohexane
CID 170584492
(1s,5s)-2-(2,2-Bis(methoxymethyl)-4-methylpentyl)-6,6-dimethylbicyclo[3.1.1]heptane
CID 172994194
1-[3-(7-Ethoxyheptoxy)propyl]-1-ethylcyclohexane
CID 168243930
2,2-Bis(methoxymethyl)pentylcyclohexane
CID 17830743
(3-Cyclohexyl-1,4-dimethoxybutan-2-yl)cyclohexane
CID 18461953
1-Cyclohexyl-1-(methoxymethyl)cyclohexane
CID 19602012
1-(2-Methoxyethyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 19850459

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane?
The IUPAC name of 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane (CID 19906661) is 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane.
What is the SMILES notation for 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane?
The canonical SMILES for 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane is COCC(COC)(C1(C)CCCCC1)C1(C)CCCCC1.
What is the InChIKey of 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane?
The InChIKey is HGRSVCKSAHBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-17(11-7-5-8-12-17)19(15-20-3,16-21-4)18(2)13-9-6-10-14-18/h5-16H2,1-4H3.
What are the key properties of 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane?
1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane has a molecular weight of 296.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethoxy-2-(1-methylcyclohexyl)propan-2-yl]-1-methylcyclohexane is sourced from PubChem (CID 19906661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).