[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane

C19H36O2 — CID 71344559

IUPAC[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane
SMILESCOCC(CCC1CCCCC1)(COC)C1CCCCC1
InChIInChI=1S/C19H36O2/c1-20-15-19(16-21-2,18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h17-18H,3-16H2,1-2H3
InChIKeyXGQTXWOGAIPAAN-UHFFFAOYSA-N
MW296.49 g/mol
LogP5.21
Rot. Bonds8

About [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane

[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane (PubChem CID 71344559) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane.

Molecular Properties

Compound Name[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane
PubChem CID71344559
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane
SMILESCOCC(CCC1CCCCC1)(COC)C1CCCCC1
InChIInChI=1S/C19H36O2/c1-20-15-19(16-21-2,18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h17-18H,3-16H2,1-2H3
InChIKeyXGQTXWOGAIPAAN-UHFFFAOYSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-(methoxymethyl)pentan-1-amine
CID 139927573
[5-bromo-1-methoxy-2-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octan-2-yl]cyclohexane
CID 174162182
2-cyclopentyl-2-(methoxymethyl)butan-1-amine
CID 139927552
tris(4-chlorophenyl)-[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]silane
CID 174162336
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500
2-cyclopentyl-2-(methoxymethyl)-4-methylpentan-1-amine
CID 139968950
2-cyclopentyl-2-(2-methoxyethyl)propane-1,3-diol
CID 112570934
(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane
CID 66896613
(2-cyclohexyl-2-ethylbutoxy)silane
CID 123574003
1-methyl-2-[5,5,5-trichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 174162064
3,3,3-trifluoropropylcyclooctane
CID 153173633
N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
CID 115906089

Frequently Asked Questions

What is the IUPAC name of [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane?
The IUPAC name of [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane (CID 71344559) is [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane.
What is the SMILES notation for [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane?
The canonical SMILES for [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane is COCC(CCC1CCCCC1)(COC)C1CCCCC1.
What is the InChIKey of [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane?
The InChIKey is XGQTXWOGAIPAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-20-15-19(16-21-2,18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h17-18H,3-16H2,1-2H3.
What are the key properties of [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane?
[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane has a molecular weight of 296.49 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane is sourced from PubChem (CID 71344559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).