[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate

C16H31NO3 — CID 132534346

IUPAC[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate
SMILESCC/C(C)=C(\O)[C@H](OC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H31NO3/c1-9-13(8)14(18)15(10(2)3)20-16(19)17(11(4)5)12(6)7/h10-12,15,18H,9H2,1-8H3/b14-13-/t15-/m1/s1
InChIKeyJUKADRIQBFCGHW-SEWDUPMJSA-N
MW285.43 g/mol
LogP4.51
Rot. Bonds6

About [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate

[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 132534346) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate
PubChem CID132534346
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate
SMILESCC/C(C)=C(\O)[C@H](OC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H31NO3/c1-9-13(8)14(18)15(10(2)3)20-16(19)17(11(4)5)12(6)7/h10-12,15,18H,9H2,1-8H3/b14-13-/t15-/m1/s1
InChIKeyJUKADRIQBFCGHW-SEWDUPMJSA-N
XLogP4.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 132534349
[(2S)-but-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 12901919
2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
CID 91596847
3-[di(propan-2-yl)amino]-3-oxopropanoic acid;N,N-di(propan-2-yl)propanamide
CID 158012877
ethyl (E)-4-acetyloxy-2-cyano-3-hydroxy-5-methylhex-2-enoate
CID 54718912
4-methoxy-5-methylhexan-3-one
CID 83225971
(Z)-4-[di(propan-2-yl)amino]-4-oxobut-2-enoic acid
CID 139663105
[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 13329873
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
CID 175194791
tris(di(propan-2-yl)carbamic acid);titanium
CID 11812839
pyridin-1-ium-1-ylmethyl N,N-di(propan-2-yl)carbamate
CID 70818234
[(Z)-4-trimethylstannylpent-2-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 14492456

Frequently Asked Questions

What is the IUPAC name of [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate (CID 132534346) is [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate is CC/C(C)=C(\O)[C@H](OC(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is JUKADRIQBFCGHW-SEWDUPMJSA-N. The full InChI is InChI=1S/C16H31NO3/c1-9-13(8)14(18)15(10(2)3)20-16(19)17(11(4)5)12(6)7/h10-12,15,18H,9H2,1-8H3/b14-13-/t15-/m1/s1.
What are the key properties of [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 132534346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).