(3S)-3-methyl-4-methylideneoxane

C7H12O — CID 143019143

IUPAC(3S)-3-methyl-4-methylideneoxane
SMILESC=C1CCOC[C@H]1C
InChIInChI=1S/C7H12O/c1-6-3-4-8-5-7(6)2/h7H,1,3-5H2,2H3/t7-/m1/s1
InChIKeyIPSVMDMSFLGWJQ-SSDOTTSWSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds

About (3S)-3-methyl-4-methylideneoxane

(3S)-3-methyl-4-methylideneoxane (PubChem CID 143019143) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3S)-3-methyl-4-methylideneoxane.

Molecular Properties

Compound Name(3S)-3-methyl-4-methylideneoxane
PubChem CID143019143
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3S)-3-methyl-4-methylideneoxane
SMILESC=C1CCOC[C@H]1C
InChIInChI=1S/C7H12O/c1-6-3-4-8-5-7(6)2/h7H,1,3-5H2,2H3/t7-/m1/s1
InChIKeyIPSVMDMSFLGWJQ-SSDOTTSWSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-4-methylideneoxane?
The IUPAC name of (3S)-3-methyl-4-methylideneoxane (CID 143019143) is (3S)-3-methyl-4-methylideneoxane.
What is the SMILES notation for (3S)-3-methyl-4-methylideneoxane?
The canonical SMILES for (3S)-3-methyl-4-methylideneoxane is C=C1CCOC[C@H]1C.
What is the InChIKey of (3S)-3-methyl-4-methylideneoxane?
The InChIKey is IPSVMDMSFLGWJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O/c1-6-3-4-8-5-7(6)2/h7H,1,3-5H2,2H3/t7-/m1/s1.
What are the key properties of (3S)-3-methyl-4-methylideneoxane?
(3S)-3-methyl-4-methylideneoxane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-methylideneoxane is sourced from PubChem (CID 143019143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).