(E)-1,1-dimethoxy-3-methylhept-2-ene

C10H20O2 — CID 13244487

IUPAC(E)-1,1-dimethoxy-3-methylhept-2-ene
SMILESCCCC/C(C)=C/C(OC)OC
InChIInChI=1S/C10H20O2/c1-5-6-7-9(2)8-10(11-3)12-4/h8,10H,5-7H2,1-4H3/b9-8+
InChIKeyPQWVZYRUUJJRRV-CMDGGOBGSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds6

About (E)-1,1-dimethoxy-3-methylhept-2-ene

(E)-1,1-dimethoxy-3-methylhept-2-ene (PubChem CID 13244487) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-1,1-dimethoxy-3-methylhept-2-ene.

Molecular Properties

Compound Name(E)-1,1-dimethoxy-3-methylhept-2-ene
PubChem CID13244487
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-1,1-dimethoxy-3-methylhept-2-ene
SMILESCCCC/C(C)=C/C(OC)OC
InChIInChI=1S/C10H20O2/c1-5-6-7-9(2)8-10(11-3)12-4/h8,10H,5-7H2,1-4H3/b9-8+
InChIKeyPQWVZYRUUJJRRV-CMDGGOBGSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(2,2-dimethoxyethylidene)heptan-2-one
CID 87458254
(E)-3-ethyl-1,1-dimethoxyhept-2-ene
CID 11052356
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
(E)-N-[(E)-4,4-dimethoxy-2-methylbut-2-enyl]-4,4-dimethoxy-2-methylbut-2-en-1-amine
CID 11108516
5-methoxy-3-methylnon-3-en-1-ol
CID 91036217
4-methyltetradec-3-en-2-ol
CID 71428210
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
(E,3S)-3,5-dimethylnon-4-enal
CID 100974703
(E)-3-methylnonadec-2-ene
CID 23160392
4-methyloct-3-ene
CID 85445337
2-methylhept-1-en-1-ol
CID 141483452
3-methyldec-2-ene
CID 550799

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-dimethoxy-3-methylhept-2-ene?
The IUPAC name of (E)-1,1-dimethoxy-3-methylhept-2-ene (CID 13244487) is (E)-1,1-dimethoxy-3-methylhept-2-ene.
What is the SMILES notation for (E)-1,1-dimethoxy-3-methylhept-2-ene?
The canonical SMILES for (E)-1,1-dimethoxy-3-methylhept-2-ene is CCCC/C(C)=C/C(OC)OC.
What is the InChIKey of (E)-1,1-dimethoxy-3-methylhept-2-ene?
The InChIKey is PQWVZYRUUJJRRV-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-7-9(2)8-10(11-3)12-4/h8,10H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-1,1-dimethoxy-3-methylhept-2-ene?
(E)-1,1-dimethoxy-3-methylhept-2-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-dimethoxy-3-methylhept-2-ene is sourced from PubChem (CID 13244487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).