2-methyldecyl formate

C12H24O2 — CID 174806813

IUPAC2-methyldecyl formate
SMILESCCCCCCCCC(C)COC=O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12(2)10-14-11-13/h11-12H,3-10H2,1-2H3
InChIKeyVCAVCFHULPPVGD-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.55
Rot. Bonds10

About 2-methyldecyl formate

2-methyldecyl formate (PubChem CID 174806813) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-methyldecyl formate.

Molecular Properties

Compound Name2-methyldecyl formate
PubChem CID174806813
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-methyldecyl formate
SMILESCCCCCCCCC(C)COC=O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12(2)10-14-11-13/h11-12H,3-10H2,1-2H3
InChIKeyVCAVCFHULPPVGD-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dioctylamino)butan-1-ol;2-hexyldecyl formate;2-methyloctyl formate
CID 176691345
2-tert-butylheptyl formate
CID 174596162
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070

Frequently Asked Questions

What is the IUPAC name of 2-methyldecyl formate?
The IUPAC name of 2-methyldecyl formate (CID 174806813) is 2-methyldecyl formate.
What is the SMILES notation for 2-methyldecyl formate?
The canonical SMILES for 2-methyldecyl formate is CCCCCCCCC(C)COC=O.
What is the InChIKey of 2-methyldecyl formate?
The InChIKey is VCAVCFHULPPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12(2)10-14-11-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-methyldecyl formate?
2-methyldecyl formate has a molecular weight of 200.32 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecyl formate is sourced from PubChem (CID 174806813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).