(Z)-16,16-dimethoxyhexadec-7-ene

C18H36O2 — CID 6438015

IUPAC(Z)-16,16-dimethoxyhexadec-7-ene
SMILESCCCCCC/C=C\CCCCCCCC(OC)OC
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h9-10,18H,4-8,11-17H2,1-3H3/b10-9-
InChIKeyHPVRSOHMDHUDAZ-KTKRTIGZSA-N
MW284.48 g/mol
LogP5.86
Rot. Bonds15

About (Z)-16,16-dimethoxyhexadec-7-ene

(Z)-16,16-dimethoxyhexadec-7-ene (PubChem CID 6438015) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (Z)-16,16-dimethoxyhexadec-7-ene.

Molecular Properties

Compound Name(Z)-16,16-dimethoxyhexadec-7-ene
PubChem CID6438015
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(Z)-16,16-dimethoxyhexadec-7-ene
SMILESCCCCCC/C=C\CCCCCCCC(OC)OC
InChIInChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h9-10,18H,4-8,11-17H2,1-3H3/b10-9-
InChIKeyHPVRSOHMDHUDAZ-KTKRTIGZSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxytetradecane
CID 13265409
(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
CID 6450378
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538
(Z)-14-methoxypentadec-7-ene
CID 87205017
(Z)-1-bromo-18,18-dimethoxyoctadec-3-ene
CID 163205986
(E)-1-bromo-16,16-dimethoxyhexadec-3-ene
CID 163205542
12,12-dimethoxydodeca-3,5-diene
CID 168861657
1-methoxy-1-(1-methoxypentadeca-4,9-dienoxy)pentadeca-4,9-diene
CID 142714969
15,15-dimethoxypentadeca-3,5-diene
CID 168861653
1-(13,13-dimethoxy-1-pentoxytridec-2-enoxy)-13,13-dimethoxy-1-pentoxytridec-2-ene
CID 163287735

Frequently Asked Questions

What is the IUPAC name of (Z)-16,16-dimethoxyhexadec-7-ene?
The IUPAC name of (Z)-16,16-dimethoxyhexadec-7-ene (CID 6438015) is (Z)-16,16-dimethoxyhexadec-7-ene.
What is the SMILES notation for (Z)-16,16-dimethoxyhexadec-7-ene?
The canonical SMILES for (Z)-16,16-dimethoxyhexadec-7-ene is CCCCCC/C=C\CCCCCCCC(OC)OC.
What is the InChIKey of (Z)-16,16-dimethoxyhexadec-7-ene?
The InChIKey is HPVRSOHMDHUDAZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h9-10,18H,4-8,11-17H2,1-3H3/b10-9-.
What are the key properties of (Z)-16,16-dimethoxyhexadec-7-ene?
(Z)-16,16-dimethoxyhexadec-7-ene has a molecular weight of 284.48 g/mol, XLogP of 5.86, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16,16-dimethoxyhexadec-7-ene is sourced from PubChem (CID 6438015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).