1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane

C15H30 — CID 534950

IUPAC1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane
SMILESCCC(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C15H30/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h12-14H,6-11H2,1-5H3
InChIKeyUDBAOHWDISNFAQ-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds4

About 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane

1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane (PubChem CID 534950) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane.

Molecular Properties

Compound Name1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane
PubChem CID534950
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane
SMILESCCC(C)CCC1C(C)CCCC1(C)C
InChIInChI=1S/C15H30/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h12-14H,6-11H2,1-5H3
InChIKeyUDBAOHWDISNFAQ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane?
The IUPAC name of 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane (CID 534950) is 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane.
What is the SMILES notation for 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane?
The canonical SMILES for 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane is CCC(C)CCC1C(C)CCCC1(C)C.
What is the InChIKey of 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane?
The InChIKey is UDBAOHWDISNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane?
1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2-(3-methylpentyl)cyclohexane is sourced from PubChem (CID 534950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).