[4-methyl-2-(2-methylpropyl)oxan-4-yl] formate

C11H20O3 — CID 165350827

IUPAC[4-methyl-2-(2-methylpropyl)oxan-4-yl] formate
SMILESCC(C)CC1CC(C)(OC=O)CCO1
InChIInChI=1S/C11H20O3/c1-9(2)6-10-7-11(3,14-8-12)4-5-13-10/h8-10H,4-7H2,1-3H3
InChIKeyPMPFORPPEYJMLP-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds4

About [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate

[4-methyl-2-(2-methylpropyl)oxan-4-yl] formate (PubChem CID 165350827) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate.

Molecular Properties

Compound Name[4-methyl-2-(2-methylpropyl)oxan-4-yl] formate
PubChem CID165350827
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[4-methyl-2-(2-methylpropyl)oxan-4-yl] formate
SMILESCC(C)CC1CC(C)(OC=O)CCO1
InChIInChI=1S/C11H20O3/c1-9(2)6-10-7-11(3,14-8-12)4-5-13-10/h8-10H,4-7H2,1-3H3
InChIKeyPMPFORPPEYJMLP-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2-methylpropyl)oxan-4-ol
CID 3017432
4,4-difluoro-2-(2-methylpropyl)oxolane
CID 171468236
(6S,10S)-4-(4-methylphenyl)sulfonyl-10-(2-methylpropyl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 134949531
2-(2-methylpropyl)morpholine-4-carbaldehyde
CID 174559381
(2R)-2-(2-methylpropyl)oxane
CID 58653197
(2S)-5,5-dimethyl-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863622
2-(2-methylpropyl)-1,4-oxathiane
CID 172588636
(2R,4S)-4-methyl-2-(2-methylpropyl)oxane
CID 12684606
ethyl 2-(4,4-dimethyloxan-2-yl)acetate
CID 10375536
4-chloro-2-(2-methylpropyl)oxane
CID 13087279
2-methyl-5-(2-methylpropyl)oxolane-2-carboxylic acid
CID 130585371
7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane-2-carbaldehyde
CID 130584826

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate?
The IUPAC name of [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate (CID 165350827) is [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate.
What is the SMILES notation for [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate?
The canonical SMILES for [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate is CC(C)CC1CC(C)(OC=O)CCO1.
What is the InChIKey of [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate?
The InChIKey is PMPFORPPEYJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)6-10-7-11(3,14-8-12)4-5-13-10/h8-10H,4-7H2,1-3H3.
What are the key properties of [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate?
[4-methyl-2-(2-methylpropyl)oxan-4-yl] formate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methylpropyl)oxan-4-yl] formate is sourced from PubChem (CID 165350827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).