(5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine

C9H16O — CID 58293720

IUPAC(5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
SMILESCC1C/C=C\CCOC1C
InChIInChI=1S/C9H16O/c1-8-6-4-3-5-7-10-9(8)2/h3-4,8-9H,5-7H2,1-2H3/b4-3-
InChIKeyFMNSYVCHZAMYQL-ARJAWSKDSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds

About (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine

(5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine (PubChem CID 58293720) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine.

Molecular Properties

Compound Name(5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
PubChem CID58293720
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine
SMILESCC1C/C=C\CCOC1C
InChIInChI=1S/C9H16O/c1-8-6-4-3-5-7-10-9(8)2/h3-4,8-9H,5-7H2,1-2H3/b4-3-
InChIKeyFMNSYVCHZAMYQL-ARJAWSKDSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
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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(E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene
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(+/-)-Lavandulol, methyl ether
CID 12663425
2-Ethyl-3-methyl-2,3,6,7-tetrahydrooxepine
CID 16759050
4-Methoxy-3,6-dimethylcyclohexene
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(E)-7-butoxy-2,6-dimethylhept-3-ene
CID 20349056
(5E,9E)-7-(methoxymethyl)undeca-1,5,9-triene
CID 21511489
7-(Methoxymethyl)undeca-1,5,9-triene
CID 54345334
7-Butoxy-2,6-dimethylhept-3-ene
CID 57231768
(E)-7-methyl-1-propan-2-yloxyoct-3-ene
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(Z)-7-methyl-1-propan-2-yloxyoct-4-ene
CID 57689219

Frequently Asked Questions

What is the IUPAC name of (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
The IUPAC name of (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine (CID 58293720) is (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine.
What is the SMILES notation for (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
The canonical SMILES for (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine is CC1C/C=C\CCOC1C.
What is the InChIKey of (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
The InChIKey is FMNSYVCHZAMYQL-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H16O/c1-8-6-4-3-5-7-10-9(8)2/h3-4,8-9H,5-7H2,1-2H3/b4-3-.
What are the key properties of (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine?
(5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine has a molecular weight of 140.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,3-dimethyl-3,4,7,8-tetrahydro-2H-oxocine is sourced from PubChem (CID 58293720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).