1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane

C20H38 — CID 173039410

IUPAC1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
SMILESCCCC1CCC(C)(C2CC(C)CCC2C(C)C)CC1
InChIInChI=1S/C20H38/c1-6-7-17-10-12-20(5,13-11-17)19-14-16(4)8-9-18(19)15(2)3/h15-19H,6-14H2,1-5H3
InChIKeyKYTSMESOELDLDX-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds4

About 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane

1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane (PubChem CID 173039410) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
PubChem CID173039410
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane
SMILESCCCC1CCC(C)(C2CC(C)CCC2C(C)C)CC1
InChIInChI=1S/C20H38/c1-6-7-17-10-12-20(5,13-11-17)19-14-16(4)8-9-18(19)15(2)3/h15-19H,6-14H2,1-5H3
InChIKeyKYTSMESOELDLDX-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-methyl-1-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123525117
2,2,5-trimethyl-5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentan-1-one
CID 23154684
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
7-propylspiro[3.5]nonane
CID 144910869
[(1R,2R,4S)-4-methyl-2-propan-2-ylcyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 102527970

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane?
The IUPAC name of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane (CID 173039410) is 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane.
What is the SMILES notation for 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane?
The canonical SMILES for 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane is CCCC1CCC(C)(C2CC(C)CCC2C(C)C)CC1.
What is the InChIKey of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane?
The InChIKey is KYTSMESOELDLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-6-7-17-10-12-20(5,13-11-17)19-14-16(4)8-9-18(19)15(2)3/h15-19H,6-14H2,1-5H3.
What are the key properties of 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane?
1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-4-propylcyclohexane is sourced from PubChem (CID 173039410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).