[(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate

C24H43NO2 — CID 59052620

IUPAC[(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=CCC/C(C)=C/CC[C@@H](C)/C=C/[C@H](C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H43NO2/c1-18(2)12-10-13-21(7)14-11-15-22(8)16-17-23(9)27-24(26)25(19(3)4)20(5)6/h12,14,16-17,19-20,22-23H,10-11,13,15H2,1-9H3/b17-16+,21-14+/t22-,23+/m1/s1
InChIKeyDSSAXZXREHUNED-FSOHSRCISA-N
MW377.61 g/mol
LogP7.30
Rot. Bonds11

About [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate

[(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 59052620) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate
PubChem CID59052620
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name[(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)=CCC/C(C)=C/CC[C@@H](C)/C=C/[C@H](C)OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H43NO2/c1-18(2)12-10-13-21(7)14-11-15-22(8)16-17-23(9)27-24(26)25(19(3)4)20(5)6/h12,14,16-17,19-20,22-23H,10-11,13,15H2,1-9H3/b17-16+,21-14+/t22-,23+/m1/s1
InChIKeyDSSAXZXREHUNED-FSOHSRCISA-N
XLogP7.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 13459241
[(4Z,6S,7R)-7-hydroxy-2,6-dimethylnona-2,4-dien-4-yl] N,N-di(propan-2-yl)carbamate
CID 23631777
[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamate
CID 23729984
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] N,N-di(propan-2-yl)carbamate
CID 146165572
[(E,3S)-hex-4-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 154719074
[(E,4S)-6-methylhept-2-en-4-yl] N,N-di(propan-2-yl)carbamate
CID 154719626
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N,N-di(propan-2-yl)carbamate
CID 166441515
[(2E,6E)-6-methylnona-2,6,8-trienyl] N,N-di(propan-2-yl)carbamate
CID 118892625
prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141053851
[(2Z)-3,7-dimethylocta-2,6-dienyl] N,N-di(propan-2-yl)carbamate
CID 12180797
[(E)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 13459240
[(Z,2S)-pent-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 13459243

Frequently Asked Questions

What is the IUPAC name of [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate (CID 59052620) is [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate is CC(C)=CCC/C(C)=C/CC[C@@H](C)/C=C/[C@H](C)OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is DSSAXZXREHUNED-FSOHSRCISA-N. The full InChI is InChI=1S/C24H43NO2/c1-18(2)12-10-13-21(7)14-11-15-22(8)16-17-23(9)27-24(26)25(19(3)4)20(5)6/h12,14,16-17,19-20,22-23H,10-11,13,15H2,1-9H3/b17-16+,21-14+/t22-,23+/m1/s1.
What are the key properties of [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate?
[(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 377.61 g/mol, XLogP of 7.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3E,5R,8E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 59052620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).