2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C24H44O2 — CID 142282786

IUPAC2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CC(C(COC)COC)CCC3C2)CC1
InChIInChI=1S/C24H44O2/c1-4-5-18-6-8-19(9-7-18)20-10-11-22-15-23(13-12-21(22)14-20)24(16-25-2)17-26-3/h18-24H,4-17H2,1-3H3
InChIKeyOETAFWPZCKYBKI-UHFFFAOYSA-N
MW364.61 g/mol
LogP6.33
Rot. Bonds8

About 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 142282786) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID142282786
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CC(C(COC)COC)CCC3C2)CC1
InChIInChI=1S/C24H44O2/c1-4-5-18-6-8-19(9-7-18)20-10-11-22-15-23(13-12-21(22)14-20)24(16-25-2)17-26-3/h18-24H,4-17H2,1-3H3
InChIKeyOETAFWPZCKYBKI-UHFFFAOYSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane
CID 142282795
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
3-propylbicyclo[4.2.0]octane
CID 145186098
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 79575352
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 13039671
[3-methoxy-2-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 142282471
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352805
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142283117

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 142282786) is 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC1CCC(C2CCC3CC(C(COC)COC)CCC3C2)CC1.
What is the InChIKey of 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is OETAFWPZCKYBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-4-5-18-6-8-19(9-7-18)20-10-11-22-15-23(13-12-21(22)14-20)24(16-25-2)17-26-3/h18-24H,4-17H2,1-3H3.
What are the key properties of 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 364.61 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethoxypropan-2-yl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 142282786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).