9-ethyl-6-methylidenetetradecanal;pentane

C22H44O — CID 171634494

IUPAC9-ethyl-6-methylidenetetradecanal;pentane
SMILESC=C(CCCCC=O)CCC(CC)CCCCC.CCCCC
InChIInChI=1S/C17H32O.C5H12/c1-4-6-8-12-17(5-2)14-13-16(3)11-9-7-10-15-18;1-3-5-4-2/h15,17H,3-14H2,1-2H3;3-5H2,1-2H3
InChIKeyNUBHIWLMNJFBAT-UHFFFAOYSA-N
MW324.59 g/mol
LogP7.89
Rot. Bonds15

About 9-ethyl-6-methylidenetetradecanal;pentane

9-ethyl-6-methylidenetetradecanal;pentane (PubChem CID 171634494) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 9-ethyl-6-methylidenetetradecanal;pentane.

Molecular Properties

Compound Name9-ethyl-6-methylidenetetradecanal;pentane
PubChem CID171634494
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name9-ethyl-6-methylidenetetradecanal;pentane
SMILESC=C(CCCCC=O)CCC(CC)CCCCC.CCCCC
InChIInChI=1S/C17H32O.C5H12/c1-4-6-8-12-17(5-2)14-13-16(3)11-9-7-10-15-18;1-3-5-4-2/h15,17H,3-14H2,1-2H3;3-5H2,1-2H3
InChIKeyNUBHIWLMNJFBAT-UHFFFAOYSA-N
XLogP7.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

14-ethyl-11-methylideneoctacosane
CID 142291477
5-ethylundecanal
CID 54527856
(9Z,12Z)-19-ethyltetracosa-9,12-dienal
CID 173398960
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
7-propyldodecanal
CID 21439180
2-ethylhexyl 10-oxodecanoate
CID 71343959
7-(hydroxymethyl)undecanal
CID 123467970
8-ethyl-2-methylidenehenicosanoic acid
CID 23001942
11-hexyl-N-(9-hexylheptadecyl)-8-methylidene-N-propylnonadecan-1-amine
CID 170077856
10-ethyldocos-1-ene
CID 91804827
8-ethylpentadec-1-ene
CID 91081893
9-ethylhexadec-1-ene
CID 163949602

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-methylidenetetradecanal;pentane?
The IUPAC name of 9-ethyl-6-methylidenetetradecanal;pentane (CID 171634494) is 9-ethyl-6-methylidenetetradecanal;pentane.
What is the SMILES notation for 9-ethyl-6-methylidenetetradecanal;pentane?
The canonical SMILES for 9-ethyl-6-methylidenetetradecanal;pentane is C=C(CCCCC=O)CCC(CC)CCCCC.CCCCC.
What is the InChIKey of 9-ethyl-6-methylidenetetradecanal;pentane?
The InChIKey is NUBHIWLMNJFBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O.C5H12/c1-4-6-8-12-17(5-2)14-13-16(3)11-9-7-10-15-18;1-3-5-4-2/h15,17H,3-14H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 9-ethyl-6-methylidenetetradecanal;pentane?
9-ethyl-6-methylidenetetradecanal;pentane has a molecular weight of 324.59 g/mol, XLogP of 7.89, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-methylidenetetradecanal;pentane is sourced from PubChem (CID 171634494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).