[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate

C18H37NO3Si — CID 101343519

IUPAC[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCCC[C@@H](O)[C@@H](C)/C=C(/OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-10-11-16(20)15(6)12-17(23(7,8)9)22-18(21)19(13(2)3)14(4)5/h12-16,20H,10-11H2,1-9H3/b17-12-/t15-,16+/m0/s1
InChIKeyNTBZJQPWKYPMAI-NHMNYBGFSA-N
MW343.58 g/mol
LogP4.80
Rot. Bonds8

About [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate

[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 101343519) has the molecular formula C18H37NO3Si and a molecular weight of 343.58 g/mol. Its IUPAC name is [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID101343519
Molecular FormulaC18H37NO3Si
Molecular Weight343.58 g/mol
Exact Mass343.25
IUPAC Name[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate
SMILESCCC[C@@H](O)[C@@H](C)/C=C(/OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C18H37NO3Si/c1-10-11-16(20)15(6)12-17(23(7,8)9)22-18(21)19(13(2)3)14(4)5/h12-16,20H,10-11H2,1-9H3/b17-12-/t15-,16+/m0/s1
InChIKeyNTBZJQPWKYPMAI-NHMNYBGFSA-N
XLogP4.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-hydroxy-1-phenylhept-2-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 11232880
[(Z)-4-trimethylstannylpent-2-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 14492456
hexane-2,3-diol
CID 159913798
(4S,5R)-5-hydroxy-4-methyloctan-3-one
CID 12759357
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
[(Z,3R,4S)-3,5-dimethyl-4-triethylsilyloxyhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 12031137
(3R,4S)-4-hydroxy-3-methylheptan-2-one
CID 13172578
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212
(2S,3R)-3-hydroxy-2-methyloctanal
CID 134965378
methyl (2R,3R)-3-hydroxy-2-methylhexanoate
CID 12755434
2-methyl-4-propylnonan-5-ol
CID 156689465

Frequently Asked Questions

What is the IUPAC name of [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate (CID 101343519) is [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate is CCC[C@@H](O)[C@@H](C)/C=C(/OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C.
What is the InChIKey of [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is NTBZJQPWKYPMAI-NHMNYBGFSA-N. The full InChI is InChI=1S/C18H37NO3Si/c1-10-11-16(20)15(6)12-17(23(7,8)9)22-18(21)19(13(2)3)14(4)5/h12-16,20H,10-11H2,1-9H3/b17-12-/t15-,16+/m0/s1.
What are the key properties of [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate?
[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 343.58 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 101343519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).