6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene

C17H24 — CID 151199646

IUPAC6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
SMILESC=CC(C)=C(C=CC=CC)C(C=CC)=CCC
InChIInChI=1S/C17H24/c1-6-10-11-14-17(15(5)9-4)16(12-7-2)13-8-3/h6-7,9-14H,4,8H2,1-3,5H3
InChIKeyNIAYNSLFXBEOBD-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.53
Rot. Bonds6

About 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene

6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene (PubChem CID 151199646) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene.

Molecular Properties

Compound Name6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
PubChem CID151199646
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene
SMILESC=CC(C)=C(C=CC=CC)C(C=CC)=CCC
InChIInChI=1S/C17H24/c1-6-10-11-14-17(15(5)9-4)16(12-7-2)13-8-3/h6-7,9-14H,4,8H2,1-3,5H3
InChIKeyNIAYNSLFXBEOBD-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.53
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

ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
CID 170212144
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(4Z)-4-ethenyl-3-propan-2-ylidenehepta-1,4-diene
CID 145153838
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
2-methylhepta-1,3,5-triene
CID 54571604
(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
CID 143773644
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001

Frequently Asked Questions

What is the IUPAC name of 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene?
The IUPAC name of 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene (CID 151199646) is 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene.
What is the SMILES notation for 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene?
The canonical SMILES for 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene is C=CC(C)=C(C=CC=CC)C(C=CC)=CCC.
What is the InChIKey of 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene?
The InChIKey is NIAYNSLFXBEOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-6-10-11-14-17(15(5)9-4)16(12-7-2)13-8-3/h6-7,9-14H,4,8H2,1-3,5H3.
What are the key properties of 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene?
6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene has a molecular weight of 228.38 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-en-2-ylidene-7-prop-1-enyldeca-2,4,7-triene is sourced from PubChem (CID 151199646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).