4-(methoxymethyl)hept-6-en-2-one

C9H16O2 — CID 59855038

IUPAC4-(methoxymethyl)hept-6-en-2-one
SMILESC=CCC(COC)CC(C)=O
InChIInChI=1S/C9H16O2/c1-4-5-9(7-11-3)6-8(2)10/h4,9H,1,5-7H2,2-3H3
InChIKeyDCPXYWGWJOPJOU-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.80
Rot. Bonds6

About 4-(methoxymethyl)hept-6-en-2-one

4-(methoxymethyl)hept-6-en-2-one (PubChem CID 59855038) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(methoxymethyl)hept-6-en-2-one.

Molecular Properties

Compound Name4-(methoxymethyl)hept-6-en-2-one
PubChem CID59855038
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(methoxymethyl)hept-6-en-2-one
SMILESC=CCC(COC)CC(C)=O
InChIInChI=1S/C9H16O2/c1-4-5-9(7-11-3)6-8(2)10/h4,9H,1,5-7H2,2-3H3
InChIKeyDCPXYWGWJOPJOU-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethylhept-6-en-2-one
CID 87771917
dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
N-methyl-2-(2-oxopropyl)pent-4-enamide
CID 158794186
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
3-(3-methoxypropyl)hex-5-en-2-one
CID 59857922
4-[hydroxy(dimethyl)silyl]hept-6-en-2-one
CID 10867071
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(3S)-3-methyl-2-(2-oxopropyl)hex-5-enal
CID 143622188
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
4,5-dimethoxypent-1-ene
CID 73040162
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)hept-6-en-2-one?
The IUPAC name of 4-(methoxymethyl)hept-6-en-2-one (CID 59855038) is 4-(methoxymethyl)hept-6-en-2-one.
What is the SMILES notation for 4-(methoxymethyl)hept-6-en-2-one?
The canonical SMILES for 4-(methoxymethyl)hept-6-en-2-one is C=CCC(COC)CC(C)=O.
What is the InChIKey of 4-(methoxymethyl)hept-6-en-2-one?
The InChIKey is DCPXYWGWJOPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-5-9(7-11-3)6-8(2)10/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 4-(methoxymethyl)hept-6-en-2-one?
4-(methoxymethyl)hept-6-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)hept-6-en-2-one is sourced from PubChem (CID 59855038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).