1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane

C16H30 — CID 123584713

IUPAC1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane
SMILESC=C(C)CCC1CC(CCC)C(C)CC1C
InChIInChI=1S/C16H30/c1-6-7-15-11-16(9-8-12(2)3)14(5)10-13(15)4/h13-16H,2,6-11H2,1,3-5H3
InChIKeyKNSPVUQRHBWVPE-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds5

About 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane

1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane (PubChem CID 123584713) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane.

Molecular Properties

Compound Name1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane
PubChem CID123584713
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane
SMILESC=C(C)CCC1CC(CCC)C(C)CC1C
InChIInChI=1S/C16H30/c1-6-7-15-11-16(9-8-12(2)3)14(5)10-13(15)4/h13-16H,2,6-11H2,1,3-5H3
InChIKeyKNSPVUQRHBWVPE-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
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

1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
ethane;1-methyl-2-propylcyclopropane
CID 144710386
ethane;1,2,4-trimethyl-5-propylcyclohexane
CID 156835083
acetylene;1-methyl-2-propylcyclopropane;propane
CID 173373842
4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 114476472
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
4-[(1R,2S)-2-methylcyclopropyl]butan-2-one
CID 45085231
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
1-(8-methylnon-8-enyl)-2-octylcyclopropane
CID 155570149
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane?
The IUPAC name of 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane (CID 123584713) is 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane.
What is the SMILES notation for 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane?
The canonical SMILES for 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane is C=C(C)CCC1CC(CCC)C(C)CC1C.
What is the InChIKey of 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane?
The InChIKey is KNSPVUQRHBWVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-7-15-11-16(9-8-12(2)3)14(5)10-13(15)4/h13-16H,2,6-11H2,1,3-5H3.
What are the key properties of 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane?
1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane is sourced from PubChem (CID 123584713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).