ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene

C13H20 — CID 143292269

IUPACethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
SMILESC/C=C(C)\C=C1\C=CC=CC1.CC
InChIInChI=1S/C11H14.C2H6/c1-3-10(2)9-11-7-5-4-6-8-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3/b10-3-,11-9-;
InChIKeyPOBVYNGEWARFQQ-SDLXGIRPSA-N
MW176.30 g/mol
LogP4.42
Rot. Bonds1

About ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene

ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene (PubChem CID 143292269) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
PubChem CID143292269
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nameethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
SMILESC/C=C(C)\C=C1\C=CC=CC1.CC
InChIInChI=1S/C11H14.C2H6/c1-3-10(2)9-11-7-5-4-6-8-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3/b10-3-,11-9-;
InChIKeyPOBVYNGEWARFQQ-SDLXGIRPSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(Z)-2-methylbut-2-enylidene]cyclopentene
CID 143194573
N-[(2E,4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-2,4,6-trien-3-yl]methanimine
CID 142875667
(Z,4E)-4-cyclohexa-2,4-dien-1-ylidene-N-methylbut-2-en-2-amine
CID 143168255
2-(cyclohexa-2,4-dien-1-ylidenemethyl)phenol
CID 141109666
N-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]prop-2-en-1-imine oxide
CID 59876417
N-[(Z)-3-cyclohexa-2,4-dien-1-ylideneprop-1-enyl]methanimine;ethane
CID 91128168
(4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-4,6-dienal
CID 142442632
cyclohexa-2,4-dien-1-ylidenemethylbenzene
CID 54483415
N-[(Z)-cyclohexa-2,4-dien-1-ylidenemethyl]ethanamine
CID 163890974
ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine
CID 143576031
5-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,3-diene
CID 172943537
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene?
The IUPAC name of ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene (CID 143292269) is ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene.
What is the SMILES notation for ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene?
The canonical SMILES for ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene is C/C=C(C)\C=C1\C=CC=CC1.CC.
What is the InChIKey of ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene?
The InChIKey is POBVYNGEWARFQQ-SDLXGIRPSA-N. The full InChI is InChI=1S/C11H14.C2H6/c1-3-10(2)9-11-7-5-4-6-8-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3/b10-3-,11-9-;.
What are the key properties of ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene?
ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 143292269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).