2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene

C21H40 — CID 123240548

IUPAC2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene
SMILESC=C(C)CC1CCCCC1.C=C(C)CCC(C)CC(C)C
InChIInChI=1S/C11H22.C10H18/c1-9(2)6-7-11(5)8-10(3)4;1-9(2)8-10-6-4-3-5-7-10/h10-11H,1,6-8H2,2-5H3;10H,1,3-8H2,2H3
InChIKeyGAQIVGTZOQHWQW-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.56
Rot. Bonds7

About 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene

2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene (PubChem CID 123240548) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene.

Molecular Properties

Compound Name2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene
PubChem CID123240548
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene
SMILESC=C(C)CC1CCCCC1.C=C(C)CCC(C)CC(C)C
InChIInChI=1S/C11H22.C10H18/c1-9(2)6-7-11(5)8-10(3)4;1-9(2)8-10-6-4-3-5-7-10/h10-11H,1,6-8H2,2-5H3;10H,1,3-8H2,2H3
InChIKeyGAQIVGTZOQHWQW-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.56
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

1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
4,7-dimethyloct-7-en-2-ylphosphane
CID 123656905
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575
cyclohexylmethyl N-[2-(4,6-dimethylheptanoylamino)ethyl]carbamate
CID 140551041
3-(2-methylprop-2-enyl)cycloheptan-1-ol
CID 79185632
2-methyl-5-(2-methylprop-2-enyl)azonane
CID 155036582
4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 126612510
5-methylhexa-1,5-dien-2-ylcyclohexane
CID 123720137
(1-cyclobutyl-5-methylhex-5-en-2-yl)hydrazine
CID 103170793
N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
CID 114615888
5-cyclohexyl-2-methylpent-1-en-3-amine
CID 105005114

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene?
The IUPAC name of 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene (CID 123240548) is 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene.
What is the SMILES notation for 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene?
The canonical SMILES for 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene is C=C(C)CC1CCCCC1.C=C(C)CCC(C)CC(C)C.
What is the InChIKey of 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene?
The InChIKey is GAQIVGTZOQHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C10H18/c1-9(2)6-7-11(5)8-10(3)4;1-9(2)8-10-6-4-3-5-7-10/h10-11H,1,6-8H2,2-5H3;10H,1,3-8H2,2H3.
What are the key properties of 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene?
2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene has a molecular weight of 292.55 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enylcyclohexane;2,5,7-trimethyloct-1-ene is sourced from PubChem (CID 123240548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).