(2-methyloxolan-2-yl)-(oxan-3-yl)methanone

C11H18O3 — CID 107135958

IUPAC(2-methyloxolan-2-yl)-(oxan-3-yl)methanone
SMILESCC1(C(=O)C2CCCOC2)CCCO1
InChIInChI=1S/C11H18O3/c1-11(5-3-7-14-11)10(12)9-4-2-6-13-8-9/h9H,2-8H2,1H3
InChIKeyBNVUACFXJBOLSJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds2

About (2-methyloxolan-2-yl)-(oxan-3-yl)methanone

(2-methyloxolan-2-yl)-(oxan-3-yl)methanone (PubChem CID 107135958) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-(oxan-3-yl)methanone
PubChem CID107135958
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2-methyloxolan-2-yl)-(oxan-3-yl)methanone
SMILESCC1(C(=O)C2CCCOC2)CCCO1
InChIInChI=1S/C11H18O3/c1-11(5-3-7-14-11)10(12)9-4-2-6-13-8-9/h9H,2-8H2,1H3
InChIKeyBNVUACFXJBOLSJ-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
CID 107138363
[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone
CID 107138477
(3R)-oxane-3-carboxylic acid
CID 42554318
oxane-3-carboxamide
CID 22714381
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
(3S)-3-prop-1-en-2-yloxane
CID 154017208
methyl (3R)-oxane-3-carboxylate
CID 86306897
(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
[1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone
CID 107138502
N-(2-chloroethyl)-N-cyclobutyl-2-methyloxolane-2-carboxamide
CID 102872791
(2-methyloxolan-2-yl)-(oxan-3-yl)methanol
CID 107136169

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-(oxan-3-yl)methanone?
The IUPAC name of (2-methyloxolan-2-yl)-(oxan-3-yl)methanone (CID 107135958) is (2-methyloxolan-2-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (2-methyloxolan-2-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (2-methyloxolan-2-yl)-(oxan-3-yl)methanone is CC1(C(=O)C2CCCOC2)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-(oxan-3-yl)methanone?
The InChIKey is BNVUACFXJBOLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(5-3-7-14-11)10(12)9-4-2-6-13-8-9/h9H,2-8H2,1H3.
What are the key properties of (2-methyloxolan-2-yl)-(oxan-3-yl)methanone?
(2-methyloxolan-2-yl)-(oxan-3-yl)methanone has a molecular weight of 198.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107135958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).