1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C30H58 — CID 143344345

IUPAC1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CC(C(C)C)CC(C(C)C)C2C1.CCC(C)C1CCC(C)CCC(C)C1
InChIInChI=1S/C16H30.C14H28/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-5-13(4)14-9-8-11(2)6-7-12(3)10-14/h10-16H,6-9H2,1-5H3;11-14H,5-10H2,1-4H3
InChIKeyVOMAHRXLSHKGGK-UHFFFAOYSA-N
MW418.79 g/mol
LogP9.87
Rot. Bonds4

About 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 143344345) has the molecular formula C30H58 and a molecular weight of 418.79 g/mol. Its IUPAC name is 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID143344345
Molecular FormulaC30H58
Molecular Weight418.79 g/mol
Exact Mass418.45
IUPAC Name1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CC(C(C)C)CC(C(C)C)C2C1.CCC(C)C1CCC(C)CCC(C)C1
InChIInChI=1S/C16H30.C14H28/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-5-13(4)14-9-8-11(2)6-7-12(3)10-14/h10-16H,6-9H2,1-5H3;11-14H,5-10H2,1-4H3
InChIKeyVOMAHRXLSHKGGK-UHFFFAOYSA-N
XLogP9.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.79
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
1-butan-2-yl-4-methylcyclohexane
CID 20676481
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91278744
2-methyl-6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123673492
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
2-(3-butan-2-ylcyclopentyl)bicyclo[1.1.0]butane
CID 123692466
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 143344345) is 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CC2CC(C(C)C)CC(C(C)C)C2C1.CCC(C)C1CCC(C)CCC(C)C1.
What is the InChIKey of 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is VOMAHRXLSHKGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C14H28/c1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-5-13(4)14-9-8-11(2)6-7-12(3)10-14/h10-16H,6-9H2,1-5H3;11-14H,5-10H2,1-4H3.
What are the key properties of 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 418.79 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 143344345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).