1,1-dimethoxy-7-methylidenenonane

C12H24O2 — CID 11252644

IUPAC1,1-dimethoxy-7-methylidenenonane
SMILESC=C(CC)CCCCCC(OC)OC
InChIInChI=1S/C12H24O2/c1-5-11(2)9-7-6-8-10-12(13-3)14-4/h12H,2,5-10H2,1,3-4H3
InChIKeyIIHCBEZXUXFCHJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.52
Rot. Bonds9

About 1,1-dimethoxy-7-methylidenenonane

1,1-dimethoxy-7-methylidenenonane (PubChem CID 11252644) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1,1-dimethoxy-7-methylidenenonane.

Molecular Properties

Compound Name1,1-dimethoxy-7-methylidenenonane
PubChem CID11252644
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1,1-dimethoxy-7-methylidenenonane
SMILESC=C(CC)CCCCCC(OC)OC
InChIInChI=1S/C12H24O2/c1-5-11(2)9-7-6-8-10-12(13-3)14-4/h12H,2,5-10H2,1,3-4H3
InChIKeyIIHCBEZXUXFCHJ-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-dimethoxy-
CID 103375
Citronellaldimethylacetal
CID 14028841
1-Undecene, 11,11-diethoxy-
CID 568604
12-(Methoxymethoxy)dodeca-1,2-diene
CID 10987959
13-(Methoxymethoxy)trideca-1,2-diene
CID 85687860
7,7-Diethoxy-2-methylhept-1-ene
CID 121007956
2,6-Dimethyl-9,9-dimethoxynon-1-ene
CID 129749176
12,12-Dimethoxydodec-1-ene
CID 135085656
1-[4-(1-Ethoxyethoxy)butyl]cyclopentene
CID 139263562
1-[4-(1-Ethoxyethoxy)butyl]cyclobutene
CID 139263563
1-[4-(1-Ethoxyethoxy)butyl]cyclohexene
CID 139263564

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-7-methylidenenonane?
The IUPAC name of 1,1-dimethoxy-7-methylidenenonane (CID 11252644) is 1,1-dimethoxy-7-methylidenenonane.
What is the SMILES notation for 1,1-dimethoxy-7-methylidenenonane?
The canonical SMILES for 1,1-dimethoxy-7-methylidenenonane is C=C(CC)CCCCCC(OC)OC.
What is the InChIKey of 1,1-dimethoxy-7-methylidenenonane?
The InChIKey is IIHCBEZXUXFCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-11(2)9-7-6-8-10-12(13-3)14-4/h12H,2,5-10H2,1,3-4H3.
What are the key properties of 1,1-dimethoxy-7-methylidenenonane?
1,1-dimethoxy-7-methylidenenonane 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 1,1-dimethoxy-7-methylidenenonane is sourced from PubChem (CID 11252644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).