(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane

C6H10O — CID 177218035

IUPAC(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane
SMILESCC1C[C@@H]2OCC12
InChIInChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4?,5?,6-/m0/s1
InChIKeyBTKAGYGCRCEDMI-WRVKLSGPSA-N
MW98.15 g/mol
LogP1.04
Rot. Bonds

About (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane

(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane (PubChem CID 177218035) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane
PubChem CID177218035
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane
SMILESCC1C[C@@H]2OCC12
InChIInChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4?,5?,6-/m0/s1
InChIKeyBTKAGYGCRCEDMI-WRVKLSGPSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Oxabicyclo[2.2.0]hexane
CID 20147457
1,3-Dimethyl-2-oxabicyclo-[2.2.0]hexane
CID 129671452
2-Methoxybicyclo[2.2.0]hexane
CID 17922642
(4R)-2-oxabicyclo[2.2.0]hexane
CID 58618002
(4S)-2-oxabicyclo[2.2.0]hexane
CID 91350320
5-Methyl-2-oxabicyclo[2.2.0]hexane
CID 123928307
4-Methyl-2-oxabicyclo[3.1.1]heptane
CID 148816436
5-Propan-2-yl-2-oxabicyclo[2.2.0]hexane
CID 168887531
5-Ethyl-2-oxabicyclo[2.2.0]hexane
CID 168887552
(1S,4S,6S)-6-methyl-2-oxabicyclo[2.2.0]hexane
CID 172185145
(1S,4S,6R)-6-methyl-2-oxabicyclo[2.2.0]hexane
CID 172185176
(1R,4R,6S)-6-methyl-2-oxabicyclo[2.2.0]hexane
CID 172185212

Frequently Asked Questions

What is the IUPAC name of (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane?
The IUPAC name of (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane (CID 177218035) is (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane.
What is the SMILES notation for (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane?
The canonical SMILES for (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane is CC1C[C@@H]2OCC12.
What is the InChIKey of (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane?
The InChIKey is BTKAGYGCRCEDMI-WRVKLSGPSA-N. The full InChI is InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4?,5?,6-/m0/s1.
What are the key properties of (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane?
(1S)-5-methyl-2-oxabicyclo[2.2.0]hexane has a molecular weight of 98.15 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methyl-2-oxabicyclo[2.2.0]hexane is sourced from PubChem (CID 177218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).