(2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane

C10H18O — CID 134597179

IUPAC(2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane
SMILESC=C1O[C@@H](C)C(C)(C)C1(C)C
InChIInChI=1S/C10H18O/c1-7-9(3,4)10(5,6)8(2)11-7/h8H,1H2,2-6H3/t8-/m0/s1
InChIKeyBBAOYOQXUYBYCS-QMMMGPOBSA-N
MW154.25 g/mol
LogP2.97
Rot. Bonds

About (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane

(2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane (PubChem CID 134597179) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane.

Molecular Properties

Compound Name(2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane
PubChem CID134597179
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane
SMILESC=C1O[C@@H](C)C(C)(C)C1(C)C
InChIInChI=1S/C10H18O/c1-7-9(3,4)10(5,6)8(2)11-7/h8H,1H2,2-6H3/t8-/m0/s1
InChIKeyBBAOYOQXUYBYCS-QMMMGPOBSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane?
The IUPAC name of (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane (CID 134597179) is (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane.
What is the SMILES notation for (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane?
The canonical SMILES for (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane is C=C1O[C@@H](C)C(C)(C)C1(C)C.
What is the InChIKey of (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane?
The InChIKey is BBAOYOQXUYBYCS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O/c1-7-9(3,4)10(5,6)8(2)11-7/h8H,1H2,2-6H3/t8-/m0/s1.
What are the key properties of (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane?
(2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane has a molecular weight of 154.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3,4,4-pentamethyl-5-methylideneoxolane is sourced from PubChem (CID 134597179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).