tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate

C14H25NO2 — CID 87599868

IUPACtert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate
SMILESC=CCCC(C)C(C=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-7-9-10-11(3)12(8-2)15-13(16)17-14(4,5)6/h7-8,11-12H,1-2,9-10H2,3-6H3,(H,15,16)
InChIKeyWLHMQGRXALPRNJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.67
Rot. Bonds6

About tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate

tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate (PubChem CID 87599868) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate
PubChem CID87599868
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate
SMILESC=CCCC(C)C(C=C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-7-9-10-11(3)12(8-2)15-13(16)17-14(4,5)6/h7-8,11-12H,1-2,9-10H2,3-6H3,(H,15,16)
InChIKeyWLHMQGRXALPRNJ-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
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 tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate (CID 87599868) is tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate is C=CCCC(C)C(C=C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate?
The InChIKey is WLHMQGRXALPRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-7-9-10-11(3)12(8-2)15-13(16)17-14(4,5)6/h7-8,11-12H,1-2,9-10H2,3-6H3,(H,15,16).
What are the key properties of tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate?
tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylocta-1,7-dien-3-yl)carbamate is sourced from PubChem (CID 87599868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).