6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene

C15H20 — CID 144719031

IUPAC6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene
SMILESC=C(C)/C(=C/C)C(=C)C1=CC=CCC1C
InChIInChI=1S/C15H20/c1-6-14(11(2)3)13(5)15-10-8-7-9-12(15)4/h6-8,10,12H,2,5,9H2,1,3-4H3/b14-6-
InChIKeyOTCYMUMBXUJVDR-NSIKDUERSA-N
MW200.32 g/mol
LogP4.59
Rot. Bonds3

About 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene

6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene (PubChem CID 144719031) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene
PubChem CID144719031
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene
SMILESC=C(C)/C(=C/C)C(=C)C1=CC=CCC1C
InChIInChI=1S/C15H20/c1-6-14(11(2)3)13(5)15-10-8-7-9-12(15)4/h6-8,10,12H,2,5,9H2,1,3-4H3/b14-6-
InChIKeyOTCYMUMBXUJVDR-NSIKDUERSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene with MolForge

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Related Compounds

6-methylcyclohexa-1,3-diene-1-carboxamide
CID 55289117
N-methyl-2-prop-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 143703111
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
3-but-2-en-2-yl-8-methylcycloocta-1,3,5-triene
CID 123382258
methyl-[(2E,4E)-5-(6-methylcyclohexa-1,3-dien-1-yl)hexa-2,4-dien-3-yl]-[(6-methylcyclohex-2-en-1-yl)methylimino]-λ4-sulfane
CID 155155099
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]cyclohexa-2,4-diene-1-carboxylic acid
CID 123422150
chloro-(6-methylcyclohexa-1,3-dien-1-yl)mercury
CID 15826882
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
(4Z)-2-methyl-3-methylidene-4-prop-1-en-2-ylhexa-1,4-diene
CID 166480860
1-[6-[(5Z)-4-methylhepta-2,5-dien-4-yl]cyclohexa-1,3-dien-1-yl]-N-propan-2-ylethanimine
CID 166804761

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene (CID 144719031) is 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene is C=C(C)/C(=C/C)C(=C)C1=CC=CCC1C.
What is the InChIKey of 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene?
The InChIKey is OTCYMUMBXUJVDR-NSIKDUERSA-N. The full InChI is InChI=1S/C15H20/c1-6-14(11(2)3)13(5)15-10-8-7-9-12(15)4/h6-8,10,12H,2,5,9H2,1,3-4H3/b14-6-.
What are the key properties of 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene?
6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene has a molecular weight of 200.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 144719031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).