15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene

C32H62 — CID 90924363

IUPAC15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene
SMILESCC=CCCCC(C=CCCCC(CCC)C(C)C(CC)CC(C)C)C(C)C(C)CCC
InChIInChI=1S/C32H62/c1-10-14-15-17-23-32(28(8)27(7)20-11-2)24-19-16-18-22-31(21-12-3)29(9)30(13-4)25-26(5)6/h10,14,19,24,26-32H,11-13,15-18,20-23,25H2,1-9H3
InChIKeyAJCTWPJNTBYXFB-UHFFFAOYSA-N
MW446.85 g/mol
LogP11.27
Rot. Bonds20

About 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene

15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene (PubChem CID 90924363) has the molecular formula C32H62 and a molecular weight of 446.85 g/mol. Its IUPAC name is 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene.

Molecular Properties

Compound Name15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene
PubChem CID90924363
Molecular FormulaC32H62
Molecular Weight446.85 g/mol
Exact Mass446.49
IUPAC Name15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene
SMILESCC=CCCCC(C=CCCCC(CCC)C(C)C(CC)CC(C)C)C(C)C(C)CCC
InChIInChI=1S/C32H62/c1-10-14-15-17-23-32(28(8)27(7)20-11-2)24-19-16-18-22-31(21-12-3)29(9)30(13-4)25-26(5)6/h10,14,19,24,26-32H,11-13,15-18,20-23,25H2,1-9H3
InChIKeyAJCTWPJNTBYXFB-UHFFFAOYSA-N
XLogP11.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.85
LogP ≤ 511.27
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

7,8-dimethyldec-2-ene
CID 123474152
5-ethyldodec-10-en-6-ol
CID 173315974
2,5-dimethyl-4-propyloctane
CID 57491236
(E)-2-methyl-3-propylnon-7-enamide;hydrochloride
CID 87894374
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
6-methylnon-2-ene
CID 21361194
dec-8-en-4-ol
CID 56606618
8-methyltridec-2-ene
CID 154258032
(Z,3R)-3-methylnon-7-en-1-amine
CID 174038917
(E)-dec-8-en-4-ol
CID 19937281
4-methyl-10-(2-methylheptan-4-yl)heptadecane
CID 123244941
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene?
The IUPAC name of 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene (CID 90924363) is 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene.
What is the SMILES notation for 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene?
The canonical SMILES for 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene is CC=CCCCC(C=CCCCC(CCC)C(C)C(CC)CC(C)C)C(C)C(C)CCC.
What is the InChIKey of 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene?
The InChIKey is AJCTWPJNTBYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62/c1-10-14-15-17-23-32(28(8)27(7)20-11-2)24-19-16-18-22-31(21-12-3)29(9)30(13-4)25-26(5)6/h10,14,19,24,26-32H,11-13,15-18,20-23,25H2,1-9H3.
What are the key properties of 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene?
15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene has a molecular weight of 446.85 g/mol, XLogP of 11.27, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-14,17-dimethyl-7-(3-methylhexan-2-yl)-13-propyloctadeca-2,8-diene is sourced from PubChem (CID 90924363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).