(3R)-2,3,4-trimethyloxepane

C9H18O — CID 144648748

IUPAC(3R)-2,3,4-trimethyloxepane
SMILESCC1CCCOC(C)[C@@H]1C
InChIInChI=1S/C9H18O/c1-7-5-4-6-10-9(3)8(7)2/h7-9H,4-6H2,1-3H3/t7?,8-,9?/m1/s1
InChIKeyGTLLKROGXXFPAT-QJAFJHJLSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds

About (3R)-2,3,4-trimethyloxepane

(3R)-2,3,4-trimethyloxepane (PubChem CID 144648748) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3R)-2,3,4-trimethyloxepane.

Molecular Properties

Compound Name(3R)-2,3,4-trimethyloxepane
PubChem CID144648748
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3R)-2,3,4-trimethyloxepane
SMILESCC1CCCOC(C)[C@@H]1C
InChIInChI=1S/C9H18O/c1-7-5-4-6-10-9(3)8(7)2/h7-9H,4-6H2,1-3H3/t7?,8-,9?/m1/s1
InChIKeyGTLLKROGXXFPAT-QJAFJHJLSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

(2S,3R)-2,3-dimethyloxane
CID 121479351
methanol;(2S,3R)-2,3,4-trimethyloxane
CID 145399685
1,2,3-trimethylcycloheptane
CID 54005509
(2S,3R)-3-methyl-2-propan-2-yloxane
CID 121477247
(2R,3S)-N,2-dimethyloxan-3-amine
CID 129044536
(2R,3R)-3-methyl-2-propan-2-yloxane
CID 121477252
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
(2R,3S)-3-ethenyl-2-methyloxane
CID 134995886
ethane;2-ethyl-3-methyloxane
CID 166536348
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3,4-trimethyloxepane?
The IUPAC name of (3R)-2,3,4-trimethyloxepane (CID 144648748) is (3R)-2,3,4-trimethyloxepane.
What is the SMILES notation for (3R)-2,3,4-trimethyloxepane?
The canonical SMILES for (3R)-2,3,4-trimethyloxepane is CC1CCCOC(C)[C@@H]1C.
What is the InChIKey of (3R)-2,3,4-trimethyloxepane?
The InChIKey is GTLLKROGXXFPAT-QJAFJHJLSA-N. The full InChI is InChI=1S/C9H18O/c1-7-5-4-6-10-9(3)8(7)2/h7-9H,4-6H2,1-3H3/t7?,8-,9?/m1/s1.
What are the key properties of (3R)-2,3,4-trimethyloxepane?
(3R)-2,3,4-trimethyloxepane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3,4-trimethyloxepane is sourced from PubChem (CID 144648748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).