(3S)-3-methyloxolane

C5H10O — CID 7857636

IUPAC(3S)-3-methyloxolane
SMILESC[C@H]1CCOC1
InChIInChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyLJPCNSSTRWGCMZ-YFKPBYRVSA-N
MW86.13 g/mol
LogP1.04
Rot. Bonds

About (3S)-3-methyloxolane

(3S)-3-methyloxolane (PubChem CID 7857636) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (3S)-3-methyloxolane.

Molecular Properties

Compound Name(3S)-3-methyloxolane
PubChem CID7857636
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(3S)-3-methyloxolane
SMILESC[C@H]1CCOC1
InChIInChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyLJPCNSSTRWGCMZ-YFKPBYRVSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-methyloxane;3-methyloxolane
CID 170734292
methane;methylcyclobutane;3-methyloxolane
CID 160852925
3-methyloxolane;silyloxysilane
CID 173163882
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
3-methyloxane;oxolane
CID 139878979
1-methoxy-2-methylpropane;3-methyloxolane
CID 159278153
methylcyclohexane;3-methyloxane
CID 144617317
4-tert-butyloxane;3-tert-butyloxetane;ethane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
CID 162123422
methanamine;4-methyloxane
CID 139388754
cyclohexane;4-methyloxane
CID 144563977
CID 163256129
CID 163256129

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyloxolane?
The IUPAC name of (3S)-3-methyloxolane (CID 7857636) is (3S)-3-methyloxolane.
What is the SMILES notation for (3S)-3-methyloxolane?
The canonical SMILES for (3S)-3-methyloxolane is C[C@H]1CCOC1.
What is the InChIKey of (3S)-3-methyloxolane?
The InChIKey is LJPCNSSTRWGCMZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methyloxolane?
(3S)-3-methyloxolane has a molecular weight of 86.13 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 (3S)-3-methyloxolane is sourced from PubChem (CID 7857636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).