2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene

C28H44 — CID 143141723

IUPAC2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene
SMILESC/C=C(/C)CCCCC.C=C(C1=CCCC=C1)c1cc(CC)ccc1C.CC
InChIInChI=1S/C17H20.C9H18.C2H6/c1-4-15-11-10-13(2)17(12-15)14(3)16-8-6-5-7-9-16;1-4-6-7-8-9(3)5-2;1-2/h6,8-12H,3-5,7H2,1-2H3;5H,4,6-8H2,1-3H3;1-2H3/b;9-5-;
InChIKeyBTCBIVJSMWVTQS-PJDKWVILSA-N
MW380.66 g/mol
LogP9.41
Rot. Bonds7

About 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene

2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene (PubChem CID 143141723) has the molecular formula C28H44 and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene.

Molecular Properties

Compound Name2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene
PubChem CID143141723
Molecular FormulaC28H44
Molecular Weight380.66 g/mol
Exact Mass380.34
IUPAC Name2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene
SMILESC/C=C(/C)CCCCC.C=C(C1=CCCC=C1)c1cc(CC)ccc1C.CC
InChIInChI=1S/C17H20.C9H18.C2H6/c1-4-15-11-10-13(2)17(12-15)14(3)16-8-6-5-7-9-16;1-4-6-7-8-9(3)5-2;1-2/h6,8-12H,3-5,7H2,1-2H3;5H,4,6-8H2,1-3H3;1-2H3/b;9-5-;
InChIKeyBTCBIVJSMWVTQS-PJDKWVILSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene with MolForge

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Related Compounds

1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene
CID 145339177
4-bromo-2-(1-cyclohexa-1,5-dien-1-ylethenyl)-1-propylbenzene
CID 138486357
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
CID 145350320
(13Z)-N-(1-cyclohexa-1,5-dien-1-yl-3-methylbut-3-en-2-yl)icosa-1,13-dien-2-amine;ethane
CID 177345536
1,2-dimethyl-4-(4-methylidenedodecyl)benzene
CID 123685669
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169
1-(2,5-diethylphenyl)decan-1-one
CID 65448938
N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
CID 143494911
N-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]-2-methyl-1-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]octan-3-imine
CID 142933779

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene?
The IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene (CID 143141723) is 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene.
What is the SMILES notation for 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene?
The canonical SMILES for 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene is C/C=C(/C)CCCCC.C=C(C1=CCCC=C1)c1cc(CC)ccc1C.CC.
What is the InChIKey of 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene?
The InChIKey is BTCBIVJSMWVTQS-PJDKWVILSA-N. The full InChI is InChI=1S/C17H20.C9H18.C2H6/c1-4-15-11-10-13(2)17(12-15)14(3)16-8-6-5-7-9-16;1-4-6-7-8-9(3)5-2;1-2/h6,8-12H,3-5,7H2,1-2H3;5H,4,6-8H2,1-3H3;1-2H3/b;9-5-;.
What are the key properties of 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene?
2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene has a molecular weight of 380.66 g/mol, XLogP of 9.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-ethyl-1-methylbenzene;ethane;(Z)-3-methyloct-2-ene is sourced from PubChem (CID 143141723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).