14-ethyl-11-methylideneoctacosane

C31H62 — CID 142291477

IUPAC14-ethyl-11-methylideneoctacosane
SMILESC=C(CCCCCCCCCC)CCC(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C31H62/c1-5-8-10-12-14-16-17-18-19-21-23-25-27-31(7-3)29-28-30(4)26-24-22-20-15-13-11-9-6-2/h31H,4-29H2,1-3H3
InChIKeyHAANKZVWMPOQJO-UHFFFAOYSA-N
MW434.84 g/mol
LogP11.97
Rot. Bonds26

About 14-ethyl-11-methylideneoctacosane

14-ethyl-11-methylideneoctacosane (PubChem CID 142291477) has the molecular formula C31H62 and a molecular weight of 434.84 g/mol. Its IUPAC name is 14-ethyl-11-methylideneoctacosane.

Molecular Properties

Compound Name14-ethyl-11-methylideneoctacosane
PubChem CID142291477
Molecular FormulaC31H62
Molecular Weight434.84 g/mol
Exact Mass434.49
IUPAC Name14-ethyl-11-methylideneoctacosane
SMILESC=C(CCCCCCCCCC)CCC(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C31H62/c1-5-8-10-12-14-16-17-18-19-21-23-25-27-31(7-3)29-28-30(4)26-24-22-20-15-13-11-9-6-2/h31H,4-29H2,1-3H3
InChIKeyHAANKZVWMPOQJO-UHFFFAOYSA-N
XLogP11.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.84
LogP ≤ 511.97
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

9-ethyl-6-methylidenetetradecanal;pentane
CID 171634494
11-hexyl-N-(9-hexylheptadecyl)-8-methylidene-N-propylnonadecan-1-amine
CID 170077856
18,23-dimethylidene-20-propyltetracontane
CID 164602954
6-methylidenedodecane
CID 21453027
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
6-methylidenetetradecane
CID 21477883
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
2-methyl-5-methylideneundecane
CID 54320712
17-methylidenetricosan-9-amine
CID 129036120

Frequently Asked Questions

What is the IUPAC name of 14-ethyl-11-methylideneoctacosane?
The IUPAC name of 14-ethyl-11-methylideneoctacosane (CID 142291477) is 14-ethyl-11-methylideneoctacosane.
What is the SMILES notation for 14-ethyl-11-methylideneoctacosane?
The canonical SMILES for 14-ethyl-11-methylideneoctacosane is C=C(CCCCCCCCCC)CCC(CC)CCCCCCCCCCCCCC.
What is the InChIKey of 14-ethyl-11-methylideneoctacosane?
The InChIKey is HAANKZVWMPOQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62/c1-5-8-10-12-14-16-17-18-19-21-23-25-27-31(7-3)29-28-30(4)26-24-22-20-15-13-11-9-6-2/h31H,4-29H2,1-3H3.
What are the key properties of 14-ethyl-11-methylideneoctacosane?
14-ethyl-11-methylideneoctacosane has a molecular weight of 434.84 g/mol, XLogP of 11.97, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethyl-11-methylideneoctacosane is sourced from PubChem (CID 142291477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).