(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane

C10H16O — CID 92840159

IUPAC(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane
SMILESC=C[C@@H]1CC[C@H](C=C)[C@H](C)O1
InChIInChI=1S/C10H16O/c1-4-9-6-7-10(5-2)11-8(9)3/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9-,10+/m0/s1
InChIKeyMZKLBPGOWLRPRG-LPEHRKFASA-N
MW152.24 g/mol
LogP2.54
Rot. Bonds2

About (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane

(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane (PubChem CID 92840159) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane.

Molecular Properties

Compound Name(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane
PubChem CID92840159
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane
SMILESC=C[C@@H]1CC[C@H](C=C)[C@H](C)O1
InChIInChI=1S/C10H16O/c1-4-9-6-7-10(5-2)11-8(9)3/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9-,10+/m0/s1
InChIKeyMZKLBPGOWLRPRG-LPEHRKFASA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.54
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 (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane?
The IUPAC name of (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane (CID 92840159) is (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane.
What is the SMILES notation for (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane?
The canonical SMILES for (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane is C=C[C@@H]1CC[C@H](C=C)[C@H](C)O1.
What is the InChIKey of (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane?
The InChIKey is MZKLBPGOWLRPRG-LPEHRKFASA-N. The full InChI is InChI=1S/C10H16O/c1-4-9-6-7-10(5-2)11-8(9)3/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9-,10+/m0/s1.
What are the key properties of (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane?
(2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane has a molecular weight of 152.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3,6-bis(ethenyl)-2-methyloxane is sourced from PubChem (CID 92840159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).