hentriaconta-2,10,29-triene

C31H58 — CID 150025785

IUPAChentriaconta-2,10,29-triene
SMILESCC=CCCCCCCC=CCCCCCCCCCCCCCCCCCC=CC
InChIInChI=1S/C31H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-6,19,21H,7-18,20,22-31H2,1-2H3
InChIKeyDGFBUGXYMGCQKF-UHFFFAOYSA-N
MW430.81 g/mol
LogP11.67
Rot. Bonds25

About hentriaconta-2,10,29-triene

hentriaconta-2,10,29-triene (PubChem CID 150025785) has the molecular formula C31H58 and a molecular weight of 430.81 g/mol. Its IUPAC name is hentriaconta-2,10,29-triene.

Molecular Properties

Compound Namehentriaconta-2,10,29-triene
PubChem CID150025785
Molecular FormulaC31H58
Molecular Weight430.81 g/mol
Exact Mass430.45
IUPAC Namehentriaconta-2,10,29-triene
SMILESCC=CCCCCCCC=CCCCCCCCCCCCCCCCCCC=CC
InChIInChI=1S/C31H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-6,19,21H,7-18,20,22-31H2,1-2H3
InChIKeyDGFBUGXYMGCQKF-UHFFFAOYSA-N
XLogP11.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 511.67
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

icosa-2,10,18-triene
CID 74063823
bis(dodeca-2,10-diene);methane
CID 159815244
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
pentadeca-2,10-diene
CID 174048350
pentadeca-2,6-diene
CID 165019979
(Z)-icos-2-ene
CID 5352524
10-chlorodec-2-ene
CID 54299561
dec-8-ene-1-thiol
CID 90992267
(E)-tetradec-12-enal
CID 5353009
12-chlorododec-2-ene
CID 56977389
trideca-1,4,11-triene
CID 172759150

Frequently Asked Questions

What is the IUPAC name of hentriaconta-2,10,29-triene?
The IUPAC name of hentriaconta-2,10,29-triene (CID 150025785) is hentriaconta-2,10,29-triene.
What is the SMILES notation for hentriaconta-2,10,29-triene?
The canonical SMILES for hentriaconta-2,10,29-triene is CC=CCCCCCCC=CCCCCCCCCCCCCCCCCCC=CC.
What is the InChIKey of hentriaconta-2,10,29-triene?
The InChIKey is DGFBUGXYMGCQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-6,19,21H,7-18,20,22-31H2,1-2H3.
What are the key properties of hentriaconta-2,10,29-triene?
hentriaconta-2,10,29-triene has a molecular weight of 430.81 g/mol, XLogP of 11.67, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hentriaconta-2,10,29-triene is sourced from PubChem (CID 150025785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).