1-butyl-1,3-dimethoxycyclohexane

C12H24O2 — CID 140988786

IUPAC1-butyl-1,3-dimethoxycyclohexane
SMILESCCCCC1(OC)CCCC(OC)C1
InChIInChI=1S/C12H24O2/c1-4-5-8-12(14-3)9-6-7-11(10-12)13-2/h11H,4-10H2,1-3H3
InChIKeyPCLUVMLLKNPFJJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds5

About 1-butyl-1,3-dimethoxycyclohexane

1-butyl-1,3-dimethoxycyclohexane (PubChem CID 140988786) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-butyl-1,3-dimethoxycyclohexane.

Molecular Properties

Compound Name1-butyl-1,3-dimethoxycyclohexane
PubChem CID140988786
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-butyl-1,3-dimethoxycyclohexane
SMILESCCCCC1(OC)CCCC(OC)C1
InChIInChI=1S/C12H24O2/c1-4-5-8-12(14-3)9-6-7-11(10-12)13-2/h11H,4-10H2,1-3H3
InChIKeyPCLUVMLLKNPFJJ-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-nonylcyclohexan-1-ol
CID 106873856
heptane;methoxycyclopentane
CID 131735357
butyl 1-amino-3-methoxycyclohexane-1-carboxylate
CID 151543053
1-(aminomethyl)-3-methoxy-N-methyl-N-pentylcyclohexan-1-amine
CID 106872186
1-methoxy-1-propylcyclobutane
CID 118668756
1,1,3-trimethoxycycloheptane
CID 86078996
(1-butanoyloxy-3-methoxycyclohexyl) butanoate
CID 159466894
1-butyl-1-hydroperoxycyclohexane
CID 18362273
1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
4-(4-hexylcyclohexyl)-1-methoxy-1-pentylcyclohexane
CID 18597158
1-heptyl-1-methoxy-4-(4-propylcyclohexyl)cyclohexane
CID 18597150

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,3-dimethoxycyclohexane?
The IUPAC name of 1-butyl-1,3-dimethoxycyclohexane (CID 140988786) is 1-butyl-1,3-dimethoxycyclohexane.
What is the SMILES notation for 1-butyl-1,3-dimethoxycyclohexane?
The canonical SMILES for 1-butyl-1,3-dimethoxycyclohexane is CCCCC1(OC)CCCC(OC)C1.
What is the InChIKey of 1-butyl-1,3-dimethoxycyclohexane?
The InChIKey is PCLUVMLLKNPFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-5-8-12(14-3)9-6-7-11(10-12)13-2/h11H,4-10H2,1-3H3.
What are the key properties of 1-butyl-1,3-dimethoxycyclohexane?
1-butyl-1,3-dimethoxycyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,3-dimethoxycyclohexane is sourced from PubChem (CID 140988786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).