(4R)-4-(methoxymethoxy)hex-1-en-3-one

C8H14O3 — CID 44513721

IUPAC(4R)-4-(methoxymethoxy)hex-1-en-3-one
SMILESC=CC(=O)[C@@H](CC)OCOC
InChIInChI=1S/C8H14O3/c1-4-7(9)8(5-2)11-6-10-3/h4,8H,1,5-6H2,2-3H3/t8-/m1/s1
InChIKeyHNCYZXSNZIPMFE-MRVPVSSYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds6

About (4R)-4-(methoxymethoxy)hex-1-en-3-one

(4R)-4-(methoxymethoxy)hex-1-en-3-one (PubChem CID 44513721) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4R)-4-(methoxymethoxy)hex-1-en-3-one.

Molecular Properties

Compound Name(4R)-4-(methoxymethoxy)hex-1-en-3-one
PubChem CID44513721
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4R)-4-(methoxymethoxy)hex-1-en-3-one
SMILESC=CC(=O)[C@@H](CC)OCOC
InChIInChI=1S/C8H14O3/c1-4-7(9)8(5-2)11-6-10-3/h4,8H,1,5-6H2,2-3H3/t8-/m1/s1
InChIKeyHNCYZXSNZIPMFE-MRVPVSSYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-oxo-4-(4-oxohex-5-en-3-yloxy)but-2-enoic acid
CID 174452543
(3R)-3-(methoxymethoxy)pent-4-en-2-one
CID 102143717
4-methylhex-1-en-3-one
CID 15724302
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-enoic acid
CID 102458905
dimethoxymethane;methyl prop-2-enoate
CID 162245850
benzene;dimethoxymethane;prop-2-enoic acid
CID 174603186
4-(3-oxoundec-1-en-4-yloxy)undec-1-en-3-one
CID 140975481
(3S)-3-(methoxymethoxy)decan-2-one
CID 101223791
2-(2-methoxyethoxy)butanamide
CID 62900293
ethyl (2R)-2-(2-methoxyethoxymethoxy)-5-oxohept-6-enoate
CID 90776916
[ethyl(pentan-3-yl)amino] prop-2-enoate
CID 87581943
4-triethoxysilylhex-1-en-3-one
CID 87180757

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methoxymethoxy)hex-1-en-3-one?
The IUPAC name of (4R)-4-(methoxymethoxy)hex-1-en-3-one (CID 44513721) is (4R)-4-(methoxymethoxy)hex-1-en-3-one.
What is the SMILES notation for (4R)-4-(methoxymethoxy)hex-1-en-3-one?
The canonical SMILES for (4R)-4-(methoxymethoxy)hex-1-en-3-one is C=CC(=O)[C@@H](CC)OCOC.
What is the InChIKey of (4R)-4-(methoxymethoxy)hex-1-en-3-one?
The InChIKey is HNCYZXSNZIPMFE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-7(9)8(5-2)11-6-10-3/h4,8H,1,5-6H2,2-3H3/t8-/m1/s1.
What are the key properties of (4R)-4-(methoxymethoxy)hex-1-en-3-one?
(4R)-4-(methoxymethoxy)hex-1-en-3-one has a molecular weight of 158.20 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methoxymethoxy)hex-1-en-3-one is sourced from PubChem (CID 44513721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).