7,7-diethoxy-2-methylhept-1-ene

C12H24O2 — CID 121007956

IUPAC7,7-diethoxy-2-methylhept-1-ene
SMILESC=C(C)CCCCC(OCC)OCC
InChIInChI=1S/C12H24O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h12H,3,5-10H2,1-2,4H3
InChIKeyBPSDHORLBRUJBM-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.52
Rot. Bonds9

About 7,7-diethoxy-2-methylhept-1-ene

7,7-diethoxy-2-methylhept-1-ene (PubChem CID 121007956) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 7,7-diethoxy-2-methylhept-1-ene.

Molecular Properties

Compound Name7,7-diethoxy-2-methylhept-1-ene
PubChem CID121007956
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name7,7-diethoxy-2-methylhept-1-ene
SMILESC=C(C)CCCCC(OCC)OCC
InChIInChI=1S/C12H24O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h12H,3,5-10H2,1-2,4H3
InChIKeyBPSDHORLBRUJBM-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.52
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

9-Decenal diethyl acetal
CID 86584457
1-Undecene, 11,11-diethoxy-
CID 568604
5-Methylene-7,7-diethoxyhept-1-ene
CID 129746150
Copper(1+);2-(2-methanidylidenehexyl)-1,3-dioxolane
CID 134993826
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane
CID 139263558
(1S)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclobutane
CID 139263559
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane
CID 139263560
1-[4-(1-Ethoxyethoxy)butyl]cyclopentene
CID 139263562
1-[4-(1-Ethoxyethoxy)butyl]cyclobutene
CID 139263563
1-[4-(1-Ethoxyethoxy)butyl]cyclohexene
CID 139263564
1-[4-(1-Ethoxyethoxy)butyl]cycloheptene
CID 139263565
8-(1-Ethoxyethoxy)-2,6-dimethyloct-1-ene
CID 113435

Frequently Asked Questions

What is the IUPAC name of 7,7-diethoxy-2-methylhept-1-ene?
The IUPAC name of 7,7-diethoxy-2-methylhept-1-ene (CID 121007956) is 7,7-diethoxy-2-methylhept-1-ene.
What is the SMILES notation for 7,7-diethoxy-2-methylhept-1-ene?
The canonical SMILES for 7,7-diethoxy-2-methylhept-1-ene is C=C(C)CCCCC(OCC)OCC.
What is the InChIKey of 7,7-diethoxy-2-methylhept-1-ene?
The InChIKey is BPSDHORLBRUJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h12H,3,5-10H2,1-2,4H3.
What are the key properties of 7,7-diethoxy-2-methylhept-1-ene?
7,7-diethoxy-2-methylhept-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethoxy-2-methylhept-1-ene is sourced from PubChem (CID 121007956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).