4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane

C17H32O2 — CID 58963672

IUPAC4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCCCCCCCCCCOC1CCC2(C)OC2C1
InChIInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-13-18-15-11-12-17(2)16(14-15)19-17/h15-16H,3-14H2,1-2H3
InChIKeyFLFBJNNDQBRQIP-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.85
Rot. Bonds10

About 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane

4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 58963672) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID58963672
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCCCCCCCCCCOC1CCC2(C)OC2C1
InChIInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-13-18-15-11-12-17(2)16(14-15)19-17/h15-16H,3-14H2,1-2H3
InChIKeyFLFBJNNDQBRQIP-UHFFFAOYSA-N
XLogP4.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-Decyloxymethyl-7-oxabicyclo[4.1.0]heptane
CID 22222995
3-Decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 58963662
3-Methoxy-4-methyl-7-oxabicyclo[4.1.0]heptane
CID 59104463
3-(Tridecoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 59687570
4-Heptoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 59735511
4-[1-(2-Ethylhexoxy)ethyl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 59735539
1-Methyl-4-(octoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 59735658
1-Methyl-4-vinyloxy-7-oxabicyclo[4.1.0]heptane
CID 86623395
(6S)-4-[1-(2-ethylhexoxy)ethyl]-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 143250437
4-[5-(3,3-Dimethyloxiran-2-yl)-3-methylpentoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane;ethane
CID 143374592
(1S,2S)-1-ethyl-2-methoxy-7-oxabicyclo[4.1.0]heptane
CID 144167088
1-(3,3-Dimethoxydodecyl)-7-oxabicyclo[4.1.0]heptane
CID 151280177

Frequently Asked Questions

What is the IUPAC name of 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane (CID 58963672) is 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane is CCCCCCCCCCOC1CCC2(C)OC2C1.
What is the InChIKey of 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is FLFBJNNDQBRQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-13-18-15-11-12-17(2)16(14-15)19-17/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 268.44 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 58963672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).