(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene

C15H18 — CID 144783390

IUPAC(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene
SMILESC=C/C=C\C1=C(C)CC(=C)/C(=C\C=C)C1
InChIInChI=1S/C15H18/c1-5-7-9-15-11-14(8-6-2)12(3)10-13(15)4/h5-9H,1-3,10-11H2,4H3/b9-7-,14-8-
InChIKeyBLTJHSMERBFHTO-LKHNBVGISA-N
MW198.31 g/mol
LogP4.51
Rot. Bonds3

About (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene

(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene (PubChem CID 144783390) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene.

Molecular Properties

Compound Name(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene
PubChem CID144783390
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene
SMILESC=C/C=C\C1=C(C)CC(=C)/C(=C\C=C)C1
InChIInChI=1S/C15H18/c1-5-7-9-15-11-14(8-6-2)12(3)10-13(15)4/h5-9H,1-3,10-11H2,4H3/b9-7-,14-8-
InChIKeyBLTJHSMERBFHTO-LKHNBVGISA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.51
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

(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene;ethane;(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfanylhepta-1,3,5-triene
CID 144783389
1-buta-1,3-dienyl-2-methylcycloocta-1,5-diene
CID 173320452
7-[(1Z)-buta-1,3-dienyl]-2,6-dimethyl-8,9-dihydro-5H-benzo[7]annulene
CID 142155353
ethane;(4Z,5Z)-1-ethenyl-5-(2-methylpropylidene)-2-[(1Z,3E)-penta-1,3-dienyl]-4-prop-2-enylidenecyclohexene
CID 144868039
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydro-1H-pyrrole;ethane
CID 145474616
3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene
CID 155702976
5-[(1Z)-buta-1,3-dienyl]-4-methyl-2,3-dihydrofuran
CID 89192695
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 144789889
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
1,2-dimethyl-3-methylidenecyclobutene
CID 20600458
(4Z)-N-methyl-3-methylidene-4-prop-2-enylidenecyclopentan-1-amine
CID 143992875
(5E)-3-[(1Z)-buta-1,3-dienyl]-1,2-dimethyl-4-methylidene-5-prop-2-enylidenepyrrole
CID 174312838

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene?
The IUPAC name of (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene (CID 144783390) is (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene.
What is the SMILES notation for (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene?
The canonical SMILES for (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene is C=C/C=C\C1=C(C)CC(=C)/C(=C\C=C)C1.
What is the InChIKey of (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene?
The InChIKey is BLTJHSMERBFHTO-LKHNBVGISA-N. The full InChI is InChI=1S/C15H18/c1-5-7-9-15-11-14(8-6-2)12(3)10-13(15)4/h5-9H,1-3,10-11H2,4H3/b9-7-,14-8-.
What are the key properties of (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene?
(5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene has a molecular weight of 198.31 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-[(1Z)-buta-1,3-dienyl]-2-methyl-4-methylidene-5-prop-2-enylidenecyclohexene is sourced from PubChem (CID 144783390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).