(3S,6S)-2,3,4,5,6-pentamethyloxane

C10H20O — CID 59823957

IUPAC(3S,6S)-2,3,4,5,6-pentamethyloxane
SMILESCC1O[C@@H](C)C(C)C(C)[C@@H]1C
InChIInChI=1S/C10H20O/c1-6-7(2)9(4)11-10(5)8(6)3/h6-10H,1-5H3/t6?,7-,8?,9?,10-/m0/s1
InChIKeyDLENZAYIWZDJFK-LDNHNQRNSA-N
MW156.27 g/mol
LogP2.70
Rot. Bonds

About (3S,6S)-2,3,4,5,6-pentamethyloxane

(3S,6S)-2,3,4,5,6-pentamethyloxane (PubChem CID 59823957) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S,6S)-2,3,4,5,6-pentamethyloxane.

Molecular Properties

Compound Name(3S,6S)-2,3,4,5,6-pentamethyloxane
PubChem CID59823957
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3S,6S)-2,3,4,5,6-pentamethyloxane
SMILESCC1O[C@@H](C)C(C)C(C)[C@@H]1C
InChIInChI=1S/C10H20O/c1-6-7(2)9(4)11-10(5)8(6)3/h6-10H,1-5H3/t6?,7-,8?,9?,10-/m0/s1
InChIKeyDLENZAYIWZDJFK-LDNHNQRNSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,3,4,5,6-pentamethyloxane?
The IUPAC name of (3S,6S)-2,3,4,5,6-pentamethyloxane (CID 59823957) is (3S,6S)-2,3,4,5,6-pentamethyloxane.
What is the SMILES notation for (3S,6S)-2,3,4,5,6-pentamethyloxane?
The canonical SMILES for (3S,6S)-2,3,4,5,6-pentamethyloxane is CC1O[C@@H](C)C(C)C(C)[C@@H]1C.
What is the InChIKey of (3S,6S)-2,3,4,5,6-pentamethyloxane?
The InChIKey is DLENZAYIWZDJFK-LDNHNQRNSA-N. The full InChI is InChI=1S/C10H20O/c1-6-7(2)9(4)11-10(5)8(6)3/h6-10H,1-5H3/t6?,7-,8?,9?,10-/m0/s1.
What are the key properties of (3S,6S)-2,3,4,5,6-pentamethyloxane?
(3S,6S)-2,3,4,5,6-pentamethyloxane has a molecular weight of 156.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,3,4,5,6-pentamethyloxane is sourced from PubChem (CID 59823957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).