[(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate

C15H29NO2 — CID 145483962

IUPAC[(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate
SMILESC=C(C)CC[C@@H](C)OC(=O)N[C@@H](CC)[C@H](C)CC
InChIInChI=1S/C15H29NO2/c1-7-12(5)14(8-2)16-15(17)18-13(6)10-9-11(3)4/h12-14H,3,7-10H2,1-2,4-6H3,(H,16,17)/t12-,13-,14+/m1/s1
InChIKeyJRVMAXTWQONPNH-MCIONIFRSA-N
MW255.40 g/mol
LogP4.28
Rot. Bonds8

About [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate

[(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate (PubChem CID 145483962) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate.

Molecular Properties

Compound Name[(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate
PubChem CID145483962
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate
SMILESC=C(C)CC[C@@H](C)OC(=O)N[C@@H](CC)[C@H](C)CC
InChIInChI=1S/C15H29NO2/c1-7-12(5)14(8-2)16-15(17)18-13(6)10-9-11(3)4/h12-14H,3,7-10H2,1-2,4-6H3,(H,16,17)/t12-,13-,14+/m1/s1
InChIKeyJRVMAXTWQONPNH-MCIONIFRSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,4R)-4-ethenyl-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 170118615
tert-butyl N-[(2S,3S)-3,4-dimethylpent-4-en-2-yl]carbamate
CID 162418427
propan-2-yl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
CID 58332033
oxan-4-yl N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]carbamate
CID 88995069
methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate
CID 89000571
methyl N-[(2R,3R)-2-methoxy-5-methyl-4-methylidenehexan-3-yl]carbamate
CID 89000572
4-methylpent-1-en-2-yl N-(4-methylpentan-2-yl)carbamate
CID 89075369
propan-2-yl N-[(6E,10E,14E)-6,10,14-trimethyl-4-(2-methylprop-1-enyl)hexadeca-6,10,14-trien-2-yl]carbamate
CID 89487271
pentyl N-[(6E,10E,14E)-6,10,14-trimethyl-4-(2-methylprop-1-enyl)hexadeca-6,10,14-trien-2-yl]carbamate
CID 89487346
methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
CID 90872009
oxan-4-yl N-(2,4-dimethylpent-1-en-3-yl)carbamate
CID 91009379
oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
CID 91201551

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate?
The IUPAC name of [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate (CID 145483962) is [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate.
What is the SMILES notation for [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate?
The canonical SMILES for [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate is C=C(C)CC[C@@H](C)OC(=O)N[C@@H](CC)[C@H](C)CC.
What is the InChIKey of [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate?
The InChIKey is JRVMAXTWQONPNH-MCIONIFRSA-N. The full InChI is InChI=1S/C15H29NO2/c1-7-12(5)14(8-2)16-15(17)18-13(6)10-9-11(3)4/h12-14H,3,7-10H2,1-2,4-6H3,(H,16,17)/t12-,13-,14+/m1/s1.
What are the key properties of [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate?
[(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate has a molecular weight of 255.40 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-methylhex-5-en-2-yl] N-[(3S,4R)-4-methylhexan-3-yl]carbamate is sourced from PubChem (CID 145483962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).