5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene

C16H30O — CID 139882070

IUPAC5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene
SMILESCCC(C)CCC=COC=CCCC(C)CC
InChIInChI=1S/C16H30O/c1-5-15(3)11-7-9-13-17-14-10-8-12-16(4)6-2/h9-10,13-16H,5-8,11-12H2,1-4H3
InChIKeyDSBSFXYYYQEDDK-UHFFFAOYSA-N
MW238.42 g/mol
LogP5.68
Rot. Bonds10

About 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene

5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene (PubChem CID 139882070) has the molecular formula C16H30O and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene.

Molecular Properties

Compound Name5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene
PubChem CID139882070
Molecular FormulaC16H30O
Molecular Weight238.42 g/mol
Exact Mass238.23
IUPAC Name5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene
SMILESCCC(C)CCC=COC=CCCC(C)CC
InChIInChI=1S/C16H30O/c1-5-15(3)11-7-9-13-17-14-10-8-12-16(4)6-2/h9-10,13-16H,5-8,11-12H2,1-4H3
InChIKeyDSBSFXYYYQEDDK-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 ≤ 500238.42
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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Related Compounds

2,9-dimethylundec-5-ene
CID 123952487
11-methyltrideca-5,7-diene
CID 91357008
(Z)-3-methylheptadec-6-ene
CID 159647190
4,7-dimethylnonanal
CID 87290996
8-methyldeca-2,4-dienoic acid
CID 154133307
N-(4-methylhexylidene)hydroxylamine
CID 163845285
2,11-dimethyltridec-6-ene
CID 123657363
butane;ethane;5-methylhept-1-ene
CID 143370195
8-methyldec-3-ene
CID 54115614
(E)-1-[(Z)-but-1-enoxy]pent-1-ene
CID 173340391
(3R,7R)-3,7-dimethylnonane
CID 42626759
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene?
The IUPAC name of 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene (CID 139882070) is 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene.
What is the SMILES notation for 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene?
The canonical SMILES for 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene is CCC(C)CCC=COC=CCCC(C)CC.
What is the InChIKey of 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene?
The InChIKey is DSBSFXYYYQEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-5-15(3)11-7-9-13-17-14-10-8-12-16(4)6-2/h9-10,13-16H,5-8,11-12H2,1-4H3.
What are the key properties of 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene?
5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene has a molecular weight of 238.42 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 5-methyl-1-(5-methylhept-1-enoxy)hept-1-ene is sourced from PubChem (CID 139882070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).