17-ethylidenepentatriaconta-4,7,26,29-tetraene

C37H66 — CID 90788931

IUPAC17-ethylidenepentatriaconta-4,7,26,29-tetraene
SMILESCC=C(CCCCCCCCC=CCC=CCCC)CCCCCCCCC=CCC=CCCCCC
InChIInChI=1S/C37H66/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-37(6-3)35-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h6,10,12-13,15-16,18-19,21H,4-5,7-9,11,14,17,20,22-36H2,1-3H3
InChIKeyDCHZDXPNOMGLFF-UHFFFAOYSA-N
MW510.94 g/mol
LogP13.56
Rot. Bonds28

About 17-ethylidenepentatriaconta-4,7,26,29-tetraene

17-ethylidenepentatriaconta-4,7,26,29-tetraene (PubChem CID 90788931) has the molecular formula C37H66 and a molecular weight of 510.94 g/mol. Its IUPAC name is 17-ethylidenepentatriaconta-4,7,26,29-tetraene.

Molecular Properties

Compound Name17-ethylidenepentatriaconta-4,7,26,29-tetraene
PubChem CID90788931
Molecular FormulaC37H66
Molecular Weight510.94 g/mol
Exact Mass510.52
IUPAC Name17-ethylidenepentatriaconta-4,7,26,29-tetraene
SMILESCC=C(CCCCCCCCC=CCC=CCCC)CCCCCCCCC=CCC=CCCCCC
InChIInChI=1S/C37H66/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-37(6-3)35-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h6,10,12-13,15-16,18-19,21H,4-5,7-9,11,14,17,20,22-36H2,1-3H3
InChIKeyDCHZDXPNOMGLFF-UHFFFAOYSA-N
XLogP13.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.94
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
docosa-4,7,11-triene
CID 141035180
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
henicosa-4,14-diene
CID 91309991
hexacosa-17,20-dien-9-one
CID 163047379
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161
(8E,11E)-octadeca-8,11-dienoic acid
CID 5312487

Frequently Asked Questions

What is the IUPAC name of 17-ethylidenepentatriaconta-4,7,26,29-tetraene?
The IUPAC name of 17-ethylidenepentatriaconta-4,7,26,29-tetraene (CID 90788931) is 17-ethylidenepentatriaconta-4,7,26,29-tetraene.
What is the SMILES notation for 17-ethylidenepentatriaconta-4,7,26,29-tetraene?
The canonical SMILES for 17-ethylidenepentatriaconta-4,7,26,29-tetraene is CC=C(CCCCCCCCC=CCC=CCCC)CCCCCCCCC=CCC=CCCCCC.
What is the InChIKey of 17-ethylidenepentatriaconta-4,7,26,29-tetraene?
The InChIKey is DCHZDXPNOMGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66/c1-4-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-37(6-3)35-33-31-29-27-25-23-20-18-16-14-12-10-8-5-2/h6,10,12-13,15-16,18-19,21H,4-5,7-9,11,14,17,20,22-36H2,1-3H3.
What are the key properties of 17-ethylidenepentatriaconta-4,7,26,29-tetraene?
17-ethylidenepentatriaconta-4,7,26,29-tetraene has a molecular weight of 510.94 g/mol, XLogP of 13.56, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethylidenepentatriaconta-4,7,26,29-tetraene is sourced from PubChem (CID 90788931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).