1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane

C29H62 — CID 177219670

IUPAC1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane
SMILESCC.CCC.CCCC(CC1CCC(CC)CC1C)C(CC(C)(C)CC)C(C)C
InChIInChI=1S/C24H48.C3H8.C2H6/c1-9-12-22(23(18(4)5)17-24(7,8)11-3)16-21-14-13-20(10-2)15-19(21)6;1-3-2;1-2/h18-23H,9-17H2,1-8H3;3H2,1-2H3;1-2H3
InChIKeyUOBYKKRNJRBVMC-UHFFFAOYSA-N
MW410.82 g/mol
LogP10.80
Rot. Bonds10

About 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane

1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane (PubChem CID 177219670) has the molecular formula C29H62 and a molecular weight of 410.82 g/mol. Its IUPAC name is 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane.

Molecular Properties

Compound Name1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane
PubChem CID177219670
Molecular FormulaC29H62
Molecular Weight410.82 g/mol
Exact Mass410.49
IUPAC Name1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane
SMILESCC.CCC.CCCC(CC1CCC(CC)CC1C)C(CC(C)(C)CC)C(C)C
InChIInChI=1S/C24H48.C3H8.C2H6/c1-9-12-22(23(18(4)5)17-24(7,8)11-3)16-21-14-13-20(10-2)15-19(21)6;1-3-2;1-2/h18-23H,9-17H2,1-8H3;3H2,1-2H3;1-2H3
InChIKeyUOBYKKRNJRBVMC-UHFFFAOYSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.82
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58552782
ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
1-(2,2-dimethylbutyl)-3-ethylcyclopentane
CID 91360585
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
3,3,5,7-tetramethyldecane
CID 57491663
1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine
CID 130238644

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane?
The IUPAC name of 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane (CID 177219670) is 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane.
What is the SMILES notation for 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane?
The canonical SMILES for 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane is CC.CCC.CCCC(CC1CCC(CC)CC1C)C(CC(C)(C)CC)C(C)C.
What is the InChIKey of 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane?
The InChIKey is UOBYKKRNJRBVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48.C3H8.C2H6/c1-9-12-22(23(18(4)5)17-24(7,8)11-3)16-21-14-13-20(10-2)15-19(21)6;1-3-2;1-2/h18-23H,9-17H2,1-8H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane?
1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane has a molecular weight of 410.82 g/mol, XLogP of 10.80, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane is sourced from PubChem (CID 177219670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).