(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane

C11H20O2 — CID 170135732

IUPAC(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane
SMILESC[C@@H]1COC(C[C@]2(C)CCOC2)C1
InChIInChI=1S/C11H20O2/c1-9-5-10(13-7-9)6-11(2)3-4-12-8-11/h9-10H,3-8H2,1-2H3/t9-,10?,11-/m0/s1
InChIKeyKOVISDBOFVDWDV-JRUYECLLSA-N
MW184.28 g/mol
LogP2.23
Rot. Bonds2

About (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane

(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane (PubChem CID 170135732) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane.

Molecular Properties

Compound Name(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane
PubChem CID170135732
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane
SMILESC[C@@H]1COC(C[C@]2(C)CCOC2)C1
InChIInChI=1S/C11H20O2/c1-9-5-10(13-7-9)6-11(2)3-4-12-8-11/h9-10H,3-8H2,1-2H3/t9-,10?,11-/m0/s1
InChIKeyKOVISDBOFVDWDV-JRUYECLLSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane?
The IUPAC name of (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane (CID 170135732) is (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane.
What is the SMILES notation for (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane?
The canonical SMILES for (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane is C[C@@H]1COC(C[C@]2(C)CCOC2)C1.
What is the InChIKey of (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane?
The InChIKey is KOVISDBOFVDWDV-JRUYECLLSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-5-10(13-7-9)6-11(2)3-4-12-8-11/h9-10H,3-8H2,1-2H3/t9-,10?,11-/m0/s1.
What are the key properties of (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane?
(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane has a molecular weight of 184.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane is sourced from PubChem (CID 170135732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).