1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane

C17H34 — CID 123564537

IUPAC1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane
SMILESCC1CCC(C(C)C(C(C)C)C(C)(C)C)CC1
InChIInChI=1S/C17H34/c1-12(2)16(17(5,6)7)14(4)15-10-8-13(3)9-11-15/h12-16H,8-11H2,1-7H3
InChIKeyDIWIBOLFGFJOGA-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds3

About 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane

1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane (PubChem CID 123564537) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane
PubChem CID123564537
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane
SMILESCC1CCC(C(C)C(C(C)C)C(C)(C)C)CC1
InChIInChI=1S/C17H34/c1-12(2)16(17(5,6)7)14(4)15-10-8-13(3)9-11-15/h12-16H,8-11H2,1-7H3
InChIKeyDIWIBOLFGFJOGA-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216
2-cyclopropyl-1-(4-methylcyclohexyl)propan-1-amine
CID 104988128
1-(3-ethyl-4-methylpentan-2-yl)-4-methylcyclohexane
CID 123280607
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
CID 162553460
3,3-dimethylbutan-2-ylcyclopropane
CID 13275215
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
CID 64776068
2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 163912333
1-methyl-4-(2-propan-2-yloxypropan-2-yl)cyclohexane
CID 123616274

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane?
The IUPAC name of 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane (CID 123564537) is 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane is CC1CCC(C(C)C(C(C)C)C(C)(C)C)CC1.
What is the InChIKey of 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane?
The InChIKey is DIWIBOLFGFJOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-12(2)16(17(5,6)7)14(4)15-10-8-13(3)9-11-15/h12-16H,8-11H2,1-7H3.
What are the key properties of 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane?
1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-3-propan-2-ylpentan-2-yl)-4-methylcyclohexane is sourced from PubChem (CID 123564537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).