(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane

C10H18O2 — CID 11105800

IUPAC(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane
SMILESC=CC[C@H]1C[C@H](OC)C[C@H](C)O1
InChIInChI=1S/C10H18O2/c1-4-5-9-7-10(11-3)6-8(2)12-9/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m0/s1
InChIKeyIOALKLYVLLFHDZ-LPEHRKFASA-N
MW170.25 g/mol
LogP2.14
Rot. Bonds3

About (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane

(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane (PubChem CID 11105800) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane.

Molecular Properties

Compound Name(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane
PubChem CID11105800
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane
SMILESC=CC[C@H]1C[C@H](OC)C[C@H](C)O1
InChIInChI=1S/C10H18O2/c1-4-5-9-7-10(11-3)6-8(2)12-9/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m0/s1
InChIKeyIOALKLYVLLFHDZ-LPEHRKFASA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane?
The IUPAC name of (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane (CID 11105800) is (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane.
What is the SMILES notation for (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane?
The canonical SMILES for (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane is C=CC[C@H]1C[C@H](OC)C[C@H](C)O1.
What is the InChIKey of (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane?
The InChIKey is IOALKLYVLLFHDZ-LPEHRKFASA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-9-7-10(11-3)6-8(2)12-9/h4,8-10H,1,5-7H2,2-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane?
(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane has a molecular weight of 170.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane is sourced from PubChem (CID 11105800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).