(4S)-2-ethyl-4,5-dimethyloxane

C9H18O — CID 59920802

IUPAC(4S)-2-ethyl-4,5-dimethyloxane
SMILESCCC1C[C@H](C)C(C)CO1
InChIInChI=1S/C9H18O/c1-4-9-5-7(2)8(3)6-10-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyWAQSITIFUZZTPQ-UEJVZZJDSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About (4S)-2-ethyl-4,5-dimethyloxane

(4S)-2-ethyl-4,5-dimethyloxane (PubChem CID 59920802) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (4S)-2-ethyl-4,5-dimethyloxane.

Molecular Properties

Compound Name(4S)-2-ethyl-4,5-dimethyloxane
PubChem CID59920802
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(4S)-2-ethyl-4,5-dimethyloxane
SMILESCCC1C[C@H](C)C(C)CO1
InChIInChI=1S/C9H18O/c1-4-9-5-7(2)8(3)6-10-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1
InChIKeyWAQSITIFUZZTPQ-UEJVZZJDSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Thromboxane
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4-Ethyl-trans-3-oxabicyclo[4,4,0]decane
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2-Tert-butyloxane
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Cyclohexane, (1-ethoxy-1-methylethyl)-
CID 175128
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
(2R,3S)-2-octyl-3-pentyloxane
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CID 154718108

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4,5-dimethyloxane?
The IUPAC name of (4S)-2-ethyl-4,5-dimethyloxane (CID 59920802) is (4S)-2-ethyl-4,5-dimethyloxane.
What is the SMILES notation for (4S)-2-ethyl-4,5-dimethyloxane?
The canonical SMILES for (4S)-2-ethyl-4,5-dimethyloxane is CCC1C[C@H](C)C(C)CO1.
What is the InChIKey of (4S)-2-ethyl-4,5-dimethyloxane?
The InChIKey is WAQSITIFUZZTPQ-UEJVZZJDSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9-5-7(2)8(3)6-10-9/h7-9H,4-6H2,1-3H3/t7-,8?,9?/m0/s1.
What are the key properties of (4S)-2-ethyl-4,5-dimethyloxane?
(4S)-2-ethyl-4,5-dimethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4,5-dimethyloxane is sourced from PubChem (CID 59920802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).