ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene

C18H30 — CID 143379887

IUPACethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene
SMILESC=C/C=C1/CC(C)=C(CC=C)/C1=C/C.CC.CC
InChIInChI=1S/C14H18.2C2H6/c1-5-8-12-10-11(4)14(9-6-2)13(12)7-3;2*1-2/h5-8H,1-2,9-10H2,3-4H3;2*1-2H3/b12-8-,13-7+;;
InChIKeyNPEHEUOVOVKKOK-CIYZABQGSA-N
MW246.44 g/mol
LogP6.39
Rot. Bonds3

About ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene

ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene (PubChem CID 143379887) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene.

Molecular Properties

Compound Nameethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene
PubChem CID143379887
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Nameethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene
SMILESC=C/C=C1/CC(C)=C(CC=C)/C1=C/C.CC.CC
InChIInChI=1S/C14H18.2C2H6/c1-5-8-12-10-11(4)14(9-6-2)13(12)7-3;2*1-2/h5-8H,1-2,9-10H2,3-4H3;2*1-2H3/b12-8-,13-7+;;
InChIKeyNPEHEUOVOVKKOK-CIYZABQGSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.39
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

ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidenepyrrolidin-2-one
CID 145152777
4-ethylidene-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
CID 54359162
ethane;(3E,4E)-3-ethylidene-1-methyl-4-prop-2-enylidenepyrrolidin-2-one
CID 171627448
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
acetylene;(3E)-1,4-dimethyl-3-prop-2-enylidene-2H-naphthalene;ethane
CID 143742296
(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane
CID 167479014
1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
3-ethylidene-4-prop-2-enylideneoxolane
CID 90927536
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
CID 143519935
ethane;(4E,5Z)-4-ethylidene-3-oxo-5-prop-2-enylidenecyclohexane-1-carboxylic acid;methane
CID 144582200
ethane;(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrolidine
CID 170763545
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidine
CID 135293785

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene?
The IUPAC name of ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene (CID 143379887) is ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene.
What is the SMILES notation for ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene?
The canonical SMILES for ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene is C=C/C=C1/CC(C)=C(CC=C)/C1=C/C.CC.CC.
What is the InChIKey of ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene?
The InChIKey is NPEHEUOVOVKKOK-CIYZABQGSA-N. The full InChI is InChI=1S/C14H18.2C2H6/c1-5-8-12-10-11(4)14(9-6-2)13(12)7-3;2*1-2/h5-8H,1-2,9-10H2,3-4H3;2*1-2H3/b12-8-,13-7+;;.
What are the key properties of ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene?
ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene has a molecular weight of 246.44 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4Z)-3-ethylidene-1-methyl-2-prop-2-enyl-4-prop-2-enylidenecyclopentene is sourced from PubChem (CID 143379887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).