(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene

C14H18 — CID 142883877

IUPAC(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene
SMILESC=C(C)CC(/C=C\C)=C1\C=CC=CC1
InChIInChI=1S/C14H18/c1-4-8-14(11-12(2)3)13-9-6-5-7-10-13/h4-9H,2,10-11H2,1,3H3/b8-4-,14-13+
InChIKeyZIAOZIKOIZAWCJ-QODMDTLKSA-N
MW186.30 g/mol
LogP4.34
Rot. Bonds3

About (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene

(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene (PubChem CID 142883877) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene
PubChem CID142883877
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene
SMILESC=C(C)CC(/C=C\C)=C1\C=CC=CC1
InChIInChI=1S/C14H18/c1-4-8-14(11-12(2)3)13-9-6-5-7-10-13/h4-9H,2,10-11H2,1,3H3/b8-4-,14-13+
InChIKeyZIAOZIKOIZAWCJ-QODMDTLKSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.34
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

(Z,3S,5E)-5-cyclohexa-2,4-dien-1-ylidene-3-(methylamino)oct-6-en-2-one
CID 126551781
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663
(1E)-1-cyclohexa-2,4-dien-1-ylidene-N-methyl-2-methylidenebutan-1-amine
CID 142236702
(2E,4Z)-N-[(1Z,2Z)-1-cyclohexa-2,4-dien-1-ylidenepenta-2,4-dienyl]hepta-2,4,6-trien-3-amine;2,2-dimethylpropane;ethane
CID 145365921
5-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,3-diene
CID 172943537
N-[(2E,4Z,7Z)-5-methyl-3-(2-methylcyclohepta-1,4,6-trien-1-yl)-6-methylidenenona-2,4,7-trien-4-yl]methanimine
CID 146608402
N-[(Z,3E)-1-cyclohepta-2,4,6-trien-1-yl-3-cyclohexa-2,4-dien-1-ylidenebut-1-enyl]methanimine;ethane;methanol
CID 143382097
N-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]ethanimine
CID 145442127
methyl (E)-2-[(Z)-cyclohexa-2,4-dien-1-ylidene(methoxy)methyl]pent-2-enoate
CID 126695725
ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
CID 143292269
1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
CID 54440744
6-ethyl-2-methyl-4-methylidenenona-1,5,7-triene
CID 123708216

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene?
The IUPAC name of (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene (CID 142883877) is (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene?
The canonical SMILES for (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene is C=C(C)CC(/C=C\C)=C1\C=CC=CC1.
What is the InChIKey of (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene?
The InChIKey is ZIAOZIKOIZAWCJ-QODMDTLKSA-N. The full InChI is InChI=1S/C14H18/c1-4-8-14(11-12(2)3)13-9-6-5-7-10-13/h4-9H,2,10-11H2,1,3H3/b8-4-,14-13+.
What are the key properties of (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene?
(5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene has a molecular weight of 186.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5Z)-2-methylhepta-1,5-dien-4-ylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 142883877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).