[(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate

C15H29NO2 — CID 154719626

IUPAC[(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/[C@H](CC(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-8-9-14(10-11(2)3)18-15(17)16(12(4)5)13(6)7/h8-9,11-14H,10H2,1-7H3/b9-8+/t14-/m1/s1
InChIKeyFNBGBBAUNDLFOF-MYSGNRETSA-N
MW255.40 g/mol
LogP4.23
Rot. Bonds6

About [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate

[(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 154719626) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate
PubChem CID154719626
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C/[C@H](CC(C)C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H29NO2/c1-8-9-14(10-11(2)3)18-15(17)16(12(4)5)13(6)7/h8-9,11-14H,10H2,1-7H3/b9-8+/t14-/m1/s1
InChIKeyFNBGBBAUNDLFOF-MYSGNRETSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate (CID 154719626) is [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate is C/C=C/[C@H](CC(C)C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is FNBGBBAUNDLFOF-MYSGNRETSA-N. The full InChI is InChI=1S/C15H29NO2/c1-8-9-14(10-11(2)3)18-15(17)16(12(4)5)13(6)7/h8-9,11-14H,10H2,1-7H3/b9-8+/t14-/m1/s1.
What are the key properties of [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate?
[(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 255.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 154719626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).