2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene

C15H18 — CID 123149212

IUPAC2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene
SMILESC=C(C)C(=CC)C=c1cc(C)ccc1=C
InChIInChI=1S/C15H18/c1-6-14(11(2)3)10-15-9-12(4)7-8-13(15)5/h6-10H,2,5H2,1,3-4H3
InChIKeyHXBHJBFCIDJEDZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene

2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene (PubChem CID 123149212) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene
PubChem CID123149212
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene
SMILESC=C(C)C(=CC)C=c1cc(C)ccc1=C
InChIInChI=1S/C15H18/c1-6-14(11(2)3)10-15-9-12(4)7-8-13(15)5/h6-10H,2,5H2,1,3-4H3
InChIKeyHXBHJBFCIDJEDZ-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.71
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

(3E)-3,6-dimethyl-5-methylidenehepta-1,3,6-triene;ethane;2-methyl-5-methylidene-6-propan-2-ylidenecyclohexa-1,3-diene;prop-1-ene
CID 155701770
(5Z)-2-methyl-6-methylidene-5-[(Z)-2-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143566658
2-methyl-6-methylidene-5-propan-2-ylidenecyclohexa-1,3-diene
CID 145274755
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
2-methyl-5-[(E,1Z)-1-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]thiophene
CID 145264549
4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
CID 145439569
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene
CID 143489955
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
(2-amino-5-methylphenyl) 2-methylprop-2-enoate
CID 174418945
(2E)-3,6-dimethylidene-2-[(E)-2-prop-1-en-2-ylbut-2-enylidene]piperidine
CID 143343260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene?
The IUPAC name of 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene (CID 123149212) is 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene.
What is the SMILES notation for 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene?
The canonical SMILES for 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene is C=C(C)C(=CC)C=c1cc(C)ccc1=C.
What is the InChIKey of 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene?
The InChIKey is HXBHJBFCIDJEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-6-14(11(2)3)10-15-9-12(4)7-8-13(15)5/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene?
2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-6-(2-prop-1-en-2-ylbut-2-enylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 123149212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).