methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate

C19H37NO3Si — CID 149433135

IUPACmethyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate
SMILESC=CC[C@H](NC(=O)OC)C1CCC(C(O[SiH](C)C)C(C)(C)C)CC1
InChIInChI=1S/C19H37NO3Si/c1-8-9-16(20-18(21)22-5)14-10-12-15(13-11-14)17(19(2,3)4)23-24(6)7/h8,14-17,24H,1,9-13H2,2-7H3,(H,20,21)/t14?,15?,16-,17?/m0/s1
InChIKeyISVKCMSKHRNWPN-PYCMUAIMSA-N
MW355.60 g/mol
LogP4.51
Rot. Bonds7

About methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate

methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate (PubChem CID 149433135) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate
PubChem CID149433135
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Namemethyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate
SMILESC=CC[C@H](NC(=O)OC)C1CCC(C(O[SiH](C)C)C(C)(C)C)CC1
InChIInChI=1S/C19H37NO3Si/c1-8-9-16(20-18(21)22-5)14-10-12-15(13-11-14)17(19(2,3)4)23-24(6)7/h8,14-17,24H,1,9-13H2,2-7H3,(H,20,21)/t14?,15?,16-,17?/m0/s1
InChIKeyISVKCMSKHRNWPN-PYCMUAIMSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416910
prop-2-enyl (2S)-2-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 173171481
1-(4-tert-butylcyclohexyl)but-3-enylhydrazine
CID 105232743
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256
tert-butyl N-(1-cyclopropyl-3-oxopentyl)carbamate
CID 165465125
tert-butyl 4-cyclohexyl-4-(methoxycarbonylamino)butanoate
CID 163923259
tert-butyl (5R)-5-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 164726182
tert-butyl N-[(3S)-1-hydroxy-2-sulfanylhex-5-en-3-yl]carbamate
CID 89204455
4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
CID 173343952
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
methyl 2-[4-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl]acetate
CID 142441432

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate (CID 149433135) is methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate is C=CC[C@H](NC(=O)OC)C1CCC(C(O[SiH](C)C)C(C)(C)C)CC1.
What is the InChIKey of methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate?
The InChIKey is ISVKCMSKHRNWPN-PYCMUAIMSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-8-9-16(20-18(21)22-5)14-10-12-15(13-11-14)17(19(2,3)4)23-24(6)7/h8,14-17,24H,1,9-13H2,2-7H3,(H,20,21)/t14?,15?,16-,17?/m0/s1.
What are the key properties of methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate?
methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate has a molecular weight of 355.60 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohexyl]but-3-enyl]carbamate is sourced from PubChem (CID 149433135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).