(1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate

C13H22N2O2 — CID 88713492

IUPAC(1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate
SMILESCC(C)(C)C=CCCCC(CC#N)OC(N)=O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)9-6-4-5-7-11(8-10-14)17-12(15)16/h6,9,11H,4-5,7-8H2,1-3H3,(H2,15,16)
InChIKeyPVGMIERHCIJBDA-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.14
Rot. Bonds6

About (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate

(1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate (PubChem CID 88713492) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate.

Molecular Properties

Compound Name(1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate
PubChem CID88713492
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate
SMILESCC(C)(C)C=CCCCC(CC#N)OC(N)=O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)9-6-4-5-7-11(8-10-14)17-12(15)16/h6,9,11H,4-5,7-8H2,1-3H3,(H2,15,16)
InChIKeyPVGMIERHCIJBDA-UHFFFAOYSA-N
XLogP3.14
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-carbamoyloxy-4-cyanobutyl) 2-methylprop-2-enoate
CID 88645522
(1-cyano-3,3-dimethylbutan-2-yl) carbamate
CID 89240462
2,8,8-trimethylnon-6-enoic acid
CID 57003004
13,13-dimethyltetradeca-3,7,11-trienamide
CID 154015526
2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
CID 123576567
1,3-dicyanopropan-2-yl 2-tert-butyl-4,4-dimethylpentanoate
CID 143828538
ethyl (E)-9,9-dimethyldec-7-enoate
CID 102355070
7-hydroxyhept-1-en-4-yl carbamate
CID 175099859
1-cyanobutan-2-yl prop-2-enoate
CID 57224639
[(2R)-1-amino-3-cyanopropan-2-yl] acetate
CID 130737264
12-carbamoyloxyoctadec-9-enoic acid
CID 123486535
2,2-dimethylheptan-3-yl carbamate
CID 175434709

Frequently Asked Questions

What is the IUPAC name of (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate?
The IUPAC name of (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate (CID 88713492) is (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate.
What is the SMILES notation for (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate?
The canonical SMILES for (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate is CC(C)(C)C=CCCCC(CC#N)OC(N)=O.
What is the InChIKey of (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate?
The InChIKey is PVGMIERHCIJBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)9-6-4-5-7-11(8-10-14)17-12(15)16/h6,9,11H,4-5,7-8H2,1-3H3,(H2,15,16).
What are the key properties of (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate?
(1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate has a molecular weight of 238.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyano-8,8-dimethylnon-6-en-2-yl) carbamate is sourced from PubChem (CID 88713492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).