4-methoxy-2,3-dimethylhept-2-ene

C10H20O — CID 123681430

IUPAC4-methoxy-2,3-dimethylhept-2-ene
SMILESCCCC(OC)C(C)=C(C)C
InChIInChI=1S/C10H20O/c1-6-7-10(11-5)9(4)8(2)3/h10H,6-7H2,1-5H3
InChIKeyNQONPDYZELHKIZ-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds4

About 4-methoxy-2,3-dimethylhept-2-ene

4-methoxy-2,3-dimethylhept-2-ene (PubChem CID 123681430) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylhept-2-ene.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylhept-2-ene
PubChem CID123681430
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-methoxy-2,3-dimethylhept-2-ene
SMILESCCCC(OC)C(C)=C(C)C
InChIInChI=1S/C10H20O/c1-6-7-10(11-5)9(4)8(2)3/h10H,6-7H2,1-5H3
InChIKeyNQONPDYZELHKIZ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 21350906
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2,4,5-trimethyl-3,6-dihydro-2H-pyran
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2H-Pyran, 3,6-dihydro-4-methyl-2-(1-methyl-1-buten-1-yl)-
CID 6450426
3-(2,2-Dimethylpropoxy)-1,2-diethylcycloprop-1-ene
CID 71389324
(2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene
CID 101393435
(2S)-2-butyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 124637643
(E)-2-ethenoxy-4-methyloct-3-ene
CID 134859103
(2S)-3-ethyl-2-[(E)-hex-3-en-3-yl]-4-methyl-2,5-dihydrofuran
CID 134964364
(2S)-2-[(E)-but-2-en-2-yl]-4-ethyl-3-methyl-2,5-dihydrofuran
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(7S)-7-[(E)-but-2-en-2-yl]-6-methyl-2,3,4,7-tetrahydrooxepine
CID 134995943

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylhept-2-ene?
The IUPAC name of 4-methoxy-2,3-dimethylhept-2-ene (CID 123681430) is 4-methoxy-2,3-dimethylhept-2-ene.
What is the SMILES notation for 4-methoxy-2,3-dimethylhept-2-ene?
The canonical SMILES for 4-methoxy-2,3-dimethylhept-2-ene is CCCC(OC)C(C)=C(C)C.
What is the InChIKey of 4-methoxy-2,3-dimethylhept-2-ene?
The InChIKey is NQONPDYZELHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-7-10(11-5)9(4)8(2)3/h10H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-2,3-dimethylhept-2-ene?
4-methoxy-2,3-dimethylhept-2-ene has a molecular weight of 156.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylhept-2-ene is sourced from PubChem (CID 123681430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).