1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane

C17H34 — CID 123804533

IUPAC1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
SMILESCCC(C)CCC(C)C1CCC(C)C(C)C1C
InChIInChI=1S/C17H34/c1-7-12(2)8-9-14(4)17-11-10-13(3)15(5)16(17)6/h12-17H,7-11H2,1-6H3
InChIKeyMERPNLOHCQIVPG-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds5

About 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane

1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane (PubChem CID 123804533) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
PubChem CID123804533
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
SMILESCCC(C)CCC(C)C1CCC(C)C(C)C1C
InChIInChI=1S/C17H34/c1-7-12(2)8-9-14(4)17-11-10-13(3)15(5)16(17)6/h12-17H,7-11H2,1-6H3
InChIKeyMERPNLOHCQIVPG-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
CID 144517503
1,2,4-trimethyl-5-(6-methyloctan-2-yl)cycloheptane
CID 143345986
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554
1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
CID 123367002
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane
CID 91402683
ethene;1-methyl-2-(3-methylpentyl)cyclopropane
CID 143221228
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane
CID 142019945
1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane
CID 90877795
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane?
The IUPAC name of 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane (CID 123804533) is 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane.
What is the SMILES notation for 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane?
The canonical SMILES for 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane is CCC(C)CCC(C)C1CCC(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane?
The InChIKey is MERPNLOHCQIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-12(2)8-9-14(4)17-11-10-13(3)15(5)16(17)6/h12-17H,7-11H2,1-6H3.
What are the key properties of 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane?
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane is sourced from PubChem (CID 123804533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).