ethane;1-(4-methylpent-3-enyl)cyclohexene

C14H26 — CID 142984227

IUPACethane;1-(4-methylpent-3-enyl)cyclohexene
SMILESCC.CC(C)=CCCC1=CCCCC1
InChIInChI=1S/C12H20.C2H6/c1-11(2)7-6-10-12-8-4-3-5-9-12;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3
InChIKeyPCOSXQVLKZEVED-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds3

About ethane;1-(4-methylpent-3-enyl)cyclohexene

ethane;1-(4-methylpent-3-enyl)cyclohexene (PubChem CID 142984227) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is ethane;1-(4-methylpent-3-enyl)cyclohexene.

Molecular Properties

Compound Nameethane;1-(4-methylpent-3-enyl)cyclohexene
PubChem CID142984227
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Nameethane;1-(4-methylpent-3-enyl)cyclohexene
SMILESCC.CC(C)=CCCC1=CCCCC1
InChIInChI=1S/C12H20.C2H6/c1-11(2)7-6-10-12-8-4-3-5-9-12;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3
InChIKeyPCOSXQVLKZEVED-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.26
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-(cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
CID 10947846
3-methylbut-2-enyl N-[2-(cyclohexen-1-yl)ethyl]carbamate
CID 11470417
1-(3,4-dimethylpent-4-enyl)cyclohexene
CID 143128247
4,4-dimethyl-1-(4-methylpent-3-enyl)cyclohexene
CID 143132171
1-hex-5-enylcyclohexene
CID 123683483
1-butylcyclononene
CID 56981158
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452
1-octadec-9-enylcyclohexene
CID 123690376
1-pentylcyclododecene
CID 150654776
1-octylcyclohexene
CID 519088
2-[1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanol
CID 71323597
(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;N-(3-morpholin-4-ylpropyl)formamide
CID 162436761

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylpent-3-enyl)cyclohexene?
The IUPAC name of ethane;1-(4-methylpent-3-enyl)cyclohexene (CID 142984227) is ethane;1-(4-methylpent-3-enyl)cyclohexene.
What is the SMILES notation for ethane;1-(4-methylpent-3-enyl)cyclohexene?
The canonical SMILES for ethane;1-(4-methylpent-3-enyl)cyclohexene is CC.CC(C)=CCCC1=CCCCC1.
What is the InChIKey of ethane;1-(4-methylpent-3-enyl)cyclohexene?
The InChIKey is PCOSXQVLKZEVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C2H6/c1-11(2)7-6-10-12-8-4-3-5-9-12;1-2/h7-8H,3-6,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylpent-3-enyl)cyclohexene?
ethane;1-(4-methylpent-3-enyl)cyclohexene has a molecular weight of 194.36 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylpent-3-enyl)cyclohexene is sourced from PubChem (CID 142984227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).