2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate

C15H29NO2 — CID 123144848

IUPAC2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate
SMILESC=CCC(C)COC(=O)NC(CCC)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-9-12(3)11-18-14(17)16-13(10-8-2)15(4,5)6/h7,12-13H,1,8-11H2,2-6H3,(H,16,17)
InChIKeyFMTWNCWRXYMIFC-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.14
Rot. Bonds7

About 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate

2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate (PubChem CID 123144848) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate.

Molecular Properties

Compound Name2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate
PubChem CID123144848
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate
SMILESC=CCC(C)COC(=O)NC(CCC)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-7-9-12(3)11-18-14(17)16-13(10-8-2)15(4,5)6/h7,12-13H,1,8-11H2,2-6H3,(H,16,17)
InChIKeyFMTWNCWRXYMIFC-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 13985400
CID 13985400
CID 58331838
CID 58331838
CID 72765684
CID 72765684
CID 72969694
CID 72969694
CID 95898073
CID 95898073
CID 11116699
CID 11116699
CID 14941769
CID 14941769
CID 13837755
CID 13837755
CID 13985401
CID 13985401
CID 18343644
CID 18343644
CID 19816746
CID 19816746
CID 21719001
CID 21719001

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate?
The IUPAC name of 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate (CID 123144848) is 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate.
What is the SMILES notation for 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate?
The canonical SMILES for 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate is C=CCC(C)COC(=O)NC(CCC)C(C)(C)C.
What is the InChIKey of 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate?
The InChIKey is FMTWNCWRXYMIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-9-12(3)11-18-14(17)16-13(10-8-2)15(4,5)6/h7,12-13H,1,8-11H2,2-6H3,(H,16,17).
What are the key properties of 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate?
2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate has a molecular weight of 255.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-4-enyl N-(2,2-dimethylhexan-3-yl)carbamate is sourced from PubChem (CID 123144848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).