1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane

C20H38O2 — CID 142282795

IUPAC1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C(COC)COC)CC2)CC1
InChIInChI=1S/C20H38O2/c1-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(14-21-2)15-22-3/h16-20H,4-15H2,1-3H3
InChIKeyRLWHWOMQODMCGC-UHFFFAOYSA-N
MW310.52 g/mol
LogP5.31
Rot. Bonds8

About 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane

1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 142282795) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID142282795
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C(COC)COC)CC2)CC1
InChIInChI=1S/C20H38O2/c1-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(14-21-2)15-22-3/h16-20H,4-15H2,1-3H3
InChIKeyRLWHWOMQODMCGC-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142282786
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79575352
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
[3-methoxy-2-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 142282471
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
[3-[2-(methoxymethyl)prop-2-enoyloxy]-2-[4-(4-pentylcyclohexyl)cyclohexyl]propyl] 2-(methoxymethyl)prop-2-enoate
CID 138529604
1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 67853298
[3-[2-(methoxymethyl)prop-2-enoyloxy]-2-[4-(4-pentylcyclohexyl)cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 138529142
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane (CID 142282795) is 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C(COC)COC)CC2)CC1.
What is the InChIKey of 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is RLWHWOMQODMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20(14-21-2)15-22-3/h16-20H,4-15H2,1-3H3.
What are the key properties of 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane?
1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 310.52 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 142282795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).