5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene

C12H16 — CID 163780403

IUPAC5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
SMILESC=C(C)/C=C\CC1C=CC=CC1
InChIInChI=1S/C12H16/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-8,12H,1,9-10H2,2H3/b7-6-
InChIKeyMOCFZZXOCKMBAO-SREVYHEPSA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds3

About 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene

5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene (PubChem CID 163780403) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
PubChem CID163780403
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
SMILESC=C(C)/C=C\CC1C=CC=CC1
InChIInChI=1S/C12H16/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-8,12H,1,9-10H2,2H3/b7-6-
InChIKeyMOCFZZXOCKMBAO-SREVYHEPSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
CID 10559238
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene
CID 145302798
5-propylcyclohexa-1,3-diene
CID 13212987
3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
CID 129144726
5-[(2Z,4Z)-2-methylhexa-2,4-dienyl]cyclohexa-1,3-diene
CID 143194687
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine
CID 155119717
5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene
CID 145345723
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene?
The IUPAC name of 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene (CID 163780403) is 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene is C=C(C)/C=C\CC1C=CC=CC1.
What is the InChIKey of 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene?
The InChIKey is MOCFZZXOCKMBAO-SREVYHEPSA-N. The full InChI is InChI=1S/C12H16/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-8,12H,1,9-10H2,2H3/b7-6-.
What are the key properties of 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene?
5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene has a molecular weight of 160.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 163780403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).