(3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane

C12H22O2 — CID 121355244

IUPAC(3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane
SMILESC/C=C\O[C@H]1OC(C)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C12H22O2/c1-6-7-13-12-10(4)8(2)9(3)11(5)14-12/h6-12H,1-5H3/b7-6-/t8-,9-,10?,11?,12-/m0/s1
InChIKeyHNHHOECTALFTDU-YAFQRAMXSA-N
MW198.31 g/mol
LogP3.19
Rot. Bonds2

About (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane

(3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane (PubChem CID 121355244) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane.

Molecular Properties

Compound Name(3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane
PubChem CID121355244
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane
SMILESC/C=C\O[C@H]1OC(C)[C@@H](C)[C@H](C)C1C
InChIInChI=1S/C12H22O2/c1-6-7-13-12-10(4)8(2)9(3)11(5)14-12/h6-12H,1-5H3/b7-6-/t8-,9-,10?,11?,12-/m0/s1
InChIKeyHNHHOECTALFTDU-YAFQRAMXSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane?
The IUPAC name of (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane (CID 121355244) is (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane.
What is the SMILES notation for (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane?
The canonical SMILES for (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane is C/C=C\O[C@H]1OC(C)[C@@H](C)[C@H](C)C1C.
What is the InChIKey of (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane?
The InChIKey is HNHHOECTALFTDU-YAFQRAMXSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-7-13-12-10(4)8(2)9(3)11(5)14-12/h6-12H,1-5H3/b7-6-/t8-,9-,10?,11?,12-/m0/s1.
What are the key properties of (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane?
(3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane has a molecular weight of 198.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane is sourced from PubChem (CID 121355244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).