tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate

C20H37NO2 — CID 14212992

IUPACtert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate
SMILESCC(C)CC/C=C/C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO2/c1-16(2)11-9-10-14-18(15-17-12-7-6-8-13-17)21-19(22)23-20(3,4)5/h10,14,16-18H,6-9,11-13,15H2,1-5H3,(H,21,22)/b14-10+
InChIKeyJGZABVHYOQCCAT-GXDHUFHOSA-N
MW323.52 g/mol
LogP5.84
Rot. Bonds7

About tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate

tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate (PubChem CID 14212992) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate
PubChem CID14212992
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Nametert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate
SMILESCC(C)CC/C=C/C(CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H37NO2/c1-16(2)11-9-10-14-18(15-17-12-7-6-8-13-17)21-19(22)23-20(3,4)5/h10,14,16-18H,6-9,11-13,15H2,1-5H3,(H,21,22)/b14-10+
InChIKeyJGZABVHYOQCCAT-GXDHUFHOSA-N
XLogP5.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.84
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-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate (CID 14212992) is tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate is CC(C)CC/C=C/C(CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate?
The InChIKey is JGZABVHYOQCCAT-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H37NO2/c1-16(2)11-9-10-14-18(15-17-12-7-6-8-13-17)21-19(22)23-20(3,4)5/h10,14,16-18H,6-9,11-13,15H2,1-5H3,(H,21,22)/b14-10+.
What are the key properties of tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate?
tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate has a molecular weight of 323.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-1-cyclohexyl-7-methyloct-3-en-2-yl]carbamate is sourced from PubChem (CID 14212992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).