16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene

C36H70O — CID 18517299

IUPAC16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene
SMILESC=C(CCCCCCCCCCCCCC(C)C)OC(=C)CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C36H70O/c1-33(2)29-25-21-17-13-9-7-11-15-19-23-27-31-35(5)37-36(6)32-28-24-20-16-12-8-10-14-18-22-26-30-34(3)4/h33-34H,5-32H2,1-4H3
InChIKeyOZVOQOIUNUFPIG-UHFFFAOYSA-N
MW518.96 g/mol
LogP13.48
Rot. Bonds30

About 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene

16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene (PubChem CID 18517299) has the molecular formula C36H70O and a molecular weight of 518.96 g/mol. Its IUPAC name is 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene.

Molecular Properties

Compound Name16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene
PubChem CID18517299
Molecular FormulaC36H70O
Molecular Weight518.96 g/mol
Exact Mass518.54
IUPAC Name16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene
SMILESC=C(CCCCCCCCCCCCCC(C)C)OC(=C)CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C36H70O/c1-33(2)29-25-21-17-13-9-7-11-15-19-23-27-31-35(5)37-36(6)32-28-24-20-16-12-8-10-14-18-22-26-30-34(3)4/h33-34H,5-32H2,1-4H3
InChIKeyOZVOQOIUNUFPIG-UHFFFAOYSA-N
XLogP13.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
10-methyl-3-methylideneundec-1-ene
CID 144855567
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
methyl 8-methyl-2-methylidenenonanoate
CID 141066722
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
3-ethyl-8-methylnon-2-ene
CID 91177846
2-methylprop-2-enyl 7-methyloctanoate
CID 139918630
dodecanoyl 16-methylheptadecanoate
CID 141056347
18-methylnonadecan-2-one
CID 90921447
2,16-dimethylheptadecan-6-one
CID 158111781

Frequently Asked Questions

What is the IUPAC name of 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene?
The IUPAC name of 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene (CID 18517299) is 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene.
What is the SMILES notation for 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene?
The canonical SMILES for 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene is C=C(CCCCCCCCCCCCCC(C)C)OC(=C)CCCCCCCCCCCCCC(C)C.
What is the InChIKey of 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene?
The InChIKey is OZVOQOIUNUFPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70O/c1-33(2)29-25-21-17-13-9-7-11-15-19-23-27-31-35(5)37-36(6)32-28-24-20-16-12-8-10-14-18-22-26-30-34(3)4/h33-34H,5-32H2,1-4H3.
What are the key properties of 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene?
16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene has a molecular weight of 518.96 g/mol, XLogP of 13.48, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-2-(16-methylheptadec-1-en-2-yloxy)heptadec-1-ene is sourced from PubChem (CID 18517299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).