6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene

C16H30O — CID 57040541

IUPAC6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CCCC(C)C)OC(=C)CCCC(C)C
InChIInChI=1S/C16H30O/c1-13(2)9-7-11-15(5)17-16(6)12-8-10-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyORGHCXJTOYSFRK-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.68
Rot. Bonds10

About 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene

6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene (PubChem CID 57040541) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene
PubChem CID57040541
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CCCC(C)C)OC(=C)CCCC(C)C
InChIInChI=1S/C16H30O/c1-13(2)9-7-11-15(5)17-16(6)12-8-10-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyORGHCXJTOYSFRK-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene (CID 57040541) is 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene is C=C(CCCC(C)C)OC(=C)CCCC(C)C.
What is the InChIKey of 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene?
The InChIKey is ORGHCXJTOYSFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-13(2)9-7-11-15(5)17-16(6)12-8-10-14(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene?
6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene has a molecular weight of 238.41 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(6-methylhept-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 57040541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).