(2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane

C25H46 — CID 143332600

IUPAC(2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane
SMILESC=CC(CC(C)CCCCC(=C)CCC)(CC1CCCCC1)C(C)C
InChIInChI=1S/C25H46/c1-7-14-22(5)15-12-13-16-23(6)19-25(8-2,21(3)4)20-24-17-10-9-11-18-24/h8,21,23-24H,2,5,7,9-20H2,1,3-4,6H3
InChIKeyCLIYVEUFEWEDJL-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.73
Rot. Bonds13

About (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane

(2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane (PubChem CID 143332600) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane.

Molecular Properties

Compound Name(2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane
PubChem CID143332600
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name(2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane
SMILESC=CC(CC(C)CCCCC(=C)CCC)(CC1CCCCC1)C(C)C
InChIInChI=1S/C25H46/c1-7-14-22(5)15-12-13-16-23(6)19-25(8-2,21(3)4)20-24-17-10-9-11-18-24/h8,21,23-24H,2,5,7,9-20H2,1,3-4,6H3
InChIKeyCLIYVEUFEWEDJL-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane?
The IUPAC name of (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane (CID 143332600) is (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane.
What is the SMILES notation for (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane?
The canonical SMILES for (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane is C=CC(CC(C)CCCCC(=C)CCC)(CC1CCCCC1)C(C)C.
What is the InChIKey of (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane?
The InChIKey is CLIYVEUFEWEDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-7-14-22(5)15-12-13-16-23(6)19-25(8-2,21(3)4)20-24-17-10-9-11-18-24/h8,21,23-24H,2,5,7,9-20H2,1,3-4,6H3.
What are the key properties of (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane?
(2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane has a molecular weight of 346.64 g/mol, XLogP of 8.73, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-4-methyl-9-methylidene-2-propan-2-yldodecyl)cyclohexane is sourced from PubChem (CID 143332600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).