2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene

C17H26 — CID 91149267

IUPAC2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene
SMILESCC=CC(CC=CCC)CCC1=CCCC=C1
InChIInChI=1S/C17H26/c1-3-5-7-11-16(10-4-2)14-15-17-12-8-6-9-13-17/h4-5,7-8,10,12-13,16H,3,6,9,11,14-15H2,1-2H3
InChIKeyPIVRIQYVMPOGPP-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.59
Rot. Bonds7

About 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene

2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene (PubChem CID 91149267) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene
PubChem CID91149267
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene
SMILESCC=CC(CC=CCC)CCC1=CCCC=C1
InChIInChI=1S/C17H26/c1-3-5-7-11-16(10-4-2)14-15-17-12-8-6-9-13-17/h4-5,7-8,10,12-13,16H,3,6,9,11,14-15H2,1-2H3
InChIKeyPIVRIQYVMPOGPP-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.59
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

cyclohexa-1,3-diene;2-[(E)-3-ethenyl-7-(4-methylcyclohexyl)hept-5-enyl]cyclohexa-1,3-diene
CID 143978421
CID 145359118
CID 145359118
2-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]ethanol
CID 173159398
2-cyclohexa-1,5-dien-1-ylethanethiol
CID 143709620
2-(2-ethyl-3-methylbutyl)cyclohexa-1,3-diene
CID 145230170
2-(14-butoxytetradecyl)cyclohexa-1,3-diene
CID 145255742
(2S)-3-cyclohexa-1,5-dien-1-yl-2-methylpropanal
CID 144910636
2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
CID 143424026
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
2-[[(2Z,4Z)-4-ethylhepta-2,4-dienoxy]methyl]cyclohexa-1,3-diene
CID 146614259
N-(2-cyclohexa-1,5-dien-1-ylethyl)but-1-en-2-amine
CID 144925841
3-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]propan-1-ol
CID 173159504

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene (CID 91149267) is 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene is CC=CC(CC=CCC)CCC1=CCCC=C1.
What is the InChIKey of 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene?
The InChIKey is PIVRIQYVMPOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-3-5-7-11-16(10-4-2)14-15-17-12-8-6-9-13-17/h4-5,7-8,10,12-13,16H,3,6,9,11,14-15H2,1-2H3.
What are the key properties of 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene?
2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene has a molecular weight of 230.40 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene is sourced from PubChem (CID 91149267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).