1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane

C19H34 — CID 123941288

IUPAC1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1C(C)C(C)C(C)C(CC(C)C)C1C(=C)C
InChIInChI=1S/C19H34/c1-11(2)10-17-15(8)14(7)16(9)18(12(3)4)19(17)13(5)6/h11,14-19H,3,5,10H2,1-2,4,6-9H3
InChIKeyCJYCIPHXPYLZSV-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.96
Rot. Bonds4

About 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane

1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 123941288) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane
PubChem CID123941288
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1C(C)C(C)C(C)C(CC(C)C)C1C(=C)C
InChIInChI=1S/C19H34/c1-11(2)10-17-15(8)14(7)16(9)18(12(3)4)19(17)13(5)6/h11,14-19H,3,5,10H2,1-2,4,6-9H3
InChIKeyCJYCIPHXPYLZSV-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropyl)bicyclo[1.1.0]butane
CID 123355318
1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane
CID 123501485
2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
CID 59941268
(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane
CID 25421543
1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane
CID 123569316
6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615
(2S,3R)-2-methyl-3-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 142078311
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805
1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane
CID 164775045
CID 162266797
CID 162266797
2,7-dimethylocta-1,4-diene
CID 91198698

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane (CID 123941288) is 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane is C=C(C)C1C(C)C(C)C(C)C(CC(C)C)C1C(=C)C.
What is the InChIKey of 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is CJYCIPHXPYLZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-11(2)10-17-15(8)14(7)16(9)18(12(3)4)19(17)13(5)6/h11,14-19H,3,5,10H2,1-2,4,6-9H3.
What are the key properties of 1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane?
1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 262.48 g/mol, XLogP of 5.96, 4 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-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 123941288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).