(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane

C10H18O — CID 102095302

IUPAC(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
SMILESC=C(C)C[C@@H]1C[C@@H](C)CCO1
InChIInChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1
InChIKeyUDMVSQSSUMWNIY-VHSXEESVSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds2

About (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane

(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane (PubChem CID 102095302) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane.

Molecular Properties

Compound Name(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
PubChem CID102095302
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
SMILESC=C(C)C[C@@H]1C[C@@H](C)CCO1
InChIInChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1
InChIKeyUDMVSQSSUMWNIY-VHSXEESVSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, 2-butyltetrahydro-6-methyl-4-methylene-
CID 91149
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
3-Methylidene-4,4a,5,6,7,8,9,9a-octahydrocyclohepta[b]pyran
CID 14437956
2-Propyl-4-methylenetetrahydropyran
CID 12283592
2-Butyl-4-methylenetetrahydropyran
CID 13516143
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
Thromboxene
CID 57129285
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
8-Oxabicyclo[3.2.1]octane, 6-(1-methylethenyl)-
CID 175364
4-(3-Fluoro-4-methylpent-1-en-2-yl)oxane
CID 89053233
5-(4-Fluoropentyl)-2-methylideneoxane
CID 126704984
2-Methyl-5-(4,4,5,5-tetrafluoro-6-methyl-3-methylidenehept-6-enyl)oxane
CID 144809541

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane?
The IUPAC name of (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane (CID 102095302) is (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane.
What is the SMILES notation for (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane?
The canonical SMILES for (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane is C=C(C)C[C@@H]1C[C@@H](C)CCO1.
What is the InChIKey of (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane?
The InChIKey is UDMVSQSSUMWNIY-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h9-10H,1,4-7H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane?
(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane is sourced from PubChem (CID 102095302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).