1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane

C12H22 — CID 91136006

IUPAC1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1(C)CCCC(C)C1C
InChIInChI=1S/C12H22/c1-9(2)12(5)8-6-7-10(3)11(12)4/h10-11H,1,6-8H2,2-5H3
InChIKeyTVEZSEXLPWAFHQ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds1

About 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane

1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane (PubChem CID 91136006) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
PubChem CID91136006
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1(C)CCCC(C)C1C
InChIInChI=1S/C12H22/c1-9(2)12(5)8-6-7-10(3)11(12)4/h10-11H,1,6-8H2,2-5H3
InChIKeyTVEZSEXLPWAFHQ-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane (CID 91136006) is 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane is C=C(C)C1(C)CCCC(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane?
The InChIKey is TVEZSEXLPWAFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-9(2)12(5)8-6-7-10(3)11(12)4/h10-11H,1,6-8H2,2-5H3.
What are the key properties of 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane?
1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 91136006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).