5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene

C19H28 — CID 123390260

IUPAC5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene
SMILESC=C(C)C(=CC)C(=CC)C(C)C1C=CC(C)=CC1C
InChIInChI=1S/C19H28/c1-8-17(13(3)4)18(9-2)16(7)19-11-10-14(5)12-15(19)6/h8-12,15-16,19H,3H2,1-2,4-7H3
InChIKeyDHVJLZSIIIASHO-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.86
Rot. Bonds4

About 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene

5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene (PubChem CID 123390260) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene
PubChem CID123390260
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene
SMILESC=C(C)C(=CC)C(=CC)C(C)C1C=CC(C)=CC1C
InChIInChI=1S/C19H28/c1-8-17(13(3)4)18(9-2)16(7)19-11-10-14(5)12-15(19)6/h8-12,15-16,19H,3H2,1-2,4-7H3
InChIKeyDHVJLZSIIIASHO-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.86
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

alpha-PHELLANDRENE, (-)-
CID 442482
alpha-PHELLANDRENE
CID 7460
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
Elemene
CID 12309449
delta-Cadinene
CID 441005
Alpha-Carotene
CID 6419725
Germacrene D
CID 5317570
(+)-alpha-Phellandrene
CID 443160
Torulene
CID 5281253
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene (CID 123390260) is 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene is C=C(C)C(=CC)C(=CC)C(C)C1C=CC(C)=CC1C.
What is the InChIKey of 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene?
The InChIKey is DHVJLZSIIIASHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-8-17(13(3)4)18(9-2)16(7)19-11-10-14(5)12-15(19)6/h8-12,15-16,19H,3H2,1-2,4-7H3.
What are the key properties of 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene?
5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene has a molecular weight of 256.43 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylidene-4-prop-1-en-2-ylhex-4-en-2-yl)-2,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 123390260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).