(E)-3-ethyl-1,1-dimethoxyhept-2-ene

C11H22O2 — CID 11052356

IUPAC(E)-3-ethyl-1,1-dimethoxyhept-2-ene
SMILESCCCC/C(=C/C(OC)OC)CC
InChIInChI=1S/C11H22O2/c1-5-7-8-10(6-2)9-11(12-3)13-4/h9,11H,5-8H2,1-4H3/b10-9+
InChIKeyKJLIYJQSQPRPEA-MDZDMXLPSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds7

About (E)-3-ethyl-1,1-dimethoxyhept-2-ene

(E)-3-ethyl-1,1-dimethoxyhept-2-ene (PubChem CID 11052356) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (E)-3-ethyl-1,1-dimethoxyhept-2-ene.

Molecular Properties

Compound Name(E)-3-ethyl-1,1-dimethoxyhept-2-ene
PubChem CID11052356
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(E)-3-ethyl-1,1-dimethoxyhept-2-ene
SMILESCCCC/C(=C/C(OC)OC)CC
InChIInChI=1S/C11H22O2/c1-5-7-8-10(6-2)9-11(12-3)13-4/h9,11H,5-8H2,1-4H3/b10-9+
InChIKeyKJLIYJQSQPRPEA-MDZDMXLPSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
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

(E)-1,1-dimethoxy-3-methylhept-2-ene
CID 13244487
(3Z)-3-(2,2-dimethoxyethylidene)heptan-2-one
CID 87458254
(E)-4-ethyltetradec-3-en-2-ol
CID 101429656
(4S,5E)-6-ethyl-4-methoxy-3,3-dimethylundeca-1,5-dien-2-ol
CID 174255990
(E,4S)-1,1-dimethoxyundec-2-en-4-ol
CID 10585572
7-butylundec-6-en-5-ylphosphane;hydrochloride
CID 173009520
3-ethylhept-2-enal
CID 3746606
7-ethyl-5-propan-2-ylundeca-1,6-diene
CID 173295898
1-(2-ethylhex-1-enoxy)decane
CID 166758323
6-ethyl-2-methyldec-5-ene
CID 123276587
5-ethyltetradec-5-ene
CID 54129215
11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
CID 162425525

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-1,1-dimethoxyhept-2-ene?
The IUPAC name of (E)-3-ethyl-1,1-dimethoxyhept-2-ene (CID 11052356) is (E)-3-ethyl-1,1-dimethoxyhept-2-ene.
What is the SMILES notation for (E)-3-ethyl-1,1-dimethoxyhept-2-ene?
The canonical SMILES for (E)-3-ethyl-1,1-dimethoxyhept-2-ene is CCCC/C(=C/C(OC)OC)CC.
What is the InChIKey of (E)-3-ethyl-1,1-dimethoxyhept-2-ene?
The InChIKey is KJLIYJQSQPRPEA-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-7-8-10(6-2)9-11(12-3)13-4/h9,11H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-3-ethyl-1,1-dimethoxyhept-2-ene?
(E)-3-ethyl-1,1-dimethoxyhept-2-ene has a molecular weight of 186.29 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-1,1-dimethoxyhept-2-ene is sourced from PubChem (CID 11052356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).