5-methyldeca-3,4-dienyl carbamate

C12H21NO2 — CID 71519865

IUPAC5-methyldeca-3,4-dienyl carbamate
SMILESCCCCCC(C)=C=CCCOC(N)=O
InChIInChI=1S/C12H21NO2/c1-3-4-5-8-11(2)9-6-7-10-15-12(13)14/h6H,3-5,7-8,10H2,1-2H3,(H2,13,14)
InChIKeyCUDWTWXFWJFMKD-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.15
Rot. Bonds7

About 5-methyldeca-3,4-dienyl carbamate

5-methyldeca-3,4-dienyl carbamate (PubChem CID 71519865) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-methyldeca-3,4-dienyl carbamate.

Molecular Properties

Compound Name5-methyldeca-3,4-dienyl carbamate
PubChem CID71519865
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-methyldeca-3,4-dienyl carbamate
SMILESCCCCCC(C)=C=CCCOC(N)=O
InChIInChI=1S/C12H21NO2/c1-3-4-5-8-11(2)9-6-7-10-15-12(13)14/h6H,3-5,7-8,10H2,1-2H3,(H2,13,14)
InChIKeyCUDWTWXFWJFMKD-UHFFFAOYSA-N
XLogP3.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methylundeca-3,4-dien-1-ol
CID 71664600
ethane;pentyl carbamate
CID 142339635
octacosyl carbamate
CID 160925840
methyl 4-methylundeca-2,3-dienoate
CID 134988395
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
acetic acid;(Z)-tetradec-5-ene;[(Z)-tetradec-9-enyl] carbamate
CID 174912776
3-oxoheptyl carbamate
CID 151371373
2-oxodecyl carbamate
CID 175306770
butyl carbamate;prop-2-enamide
CID 174431220
but-3-enyl heptanoate
CID 539056
[(E)-hept-3-enyl] pentacosanoate
CID 102118785

Frequently Asked Questions

What is the IUPAC name of 5-methyldeca-3,4-dienyl carbamate?
The IUPAC name of 5-methyldeca-3,4-dienyl carbamate (CID 71519865) is 5-methyldeca-3,4-dienyl carbamate.
What is the SMILES notation for 5-methyldeca-3,4-dienyl carbamate?
The canonical SMILES for 5-methyldeca-3,4-dienyl carbamate is CCCCCC(C)=C=CCCOC(N)=O.
What is the InChIKey of 5-methyldeca-3,4-dienyl carbamate?
The InChIKey is CUDWTWXFWJFMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-5-8-11(2)9-6-7-10-15-12(13)14/h6H,3-5,7-8,10H2,1-2H3,(H2,13,14).
What are the key properties of 5-methyldeca-3,4-dienyl carbamate?
5-methyldeca-3,4-dienyl carbamate has a molecular weight of 211.30 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyldeca-3,4-dienyl carbamate is sourced from PubChem (CID 71519865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).