3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate

C19H29NO2 — CID 146442229

IUPAC3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
SMILESCC(C)=CCCC(C)CCOC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-15(2)9-8-10-16(3)13-14-22-19(21)20-17(4)18-11-6-5-7-12-18/h5-7,9,11-12,16-17H,8,10,13-14H2,1-4H3,(H,20,21)
InChIKeyABGMKGCPFMOMOP-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.25
Rot. Bonds8

About 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate

3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate (PubChem CID 146442229) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Name3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
PubChem CID146442229
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
SMILESCC(C)=CCCC(C)CCOC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-15(2)9-8-10-16(3)13-14-22-19(21)20-17(4)18-11-6-5-7-12-18/h5-7,9,11-12,16-17H,8,10,13-14H2,1-4H3,(H,20,21)
InChIKeyABGMKGCPFMOMOP-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.25
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

[(3S)-3,7-dimethyloct-6-enyl] (Z)-3-phenylprop-2-enoate
CID 97304810
methyl (2R)-2-[[(3R)-3,7-dimethyloct-6-enoyl]amino]-2-phenylacetate
CID 10781755
butyl N-(1-phenylethyl)carbamate
CID 571821
aniline;3,7-dimethyloct-6-enyl formate
CID 174848880
dec-9-enyl N-(1-phenylethyl)carbamate
CID 596192
2-(3,7-dimethyloct-6-enoxy)-1-phenylethanone
CID 121429527
benzyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 19049058
3,7-dimethyloct-6-enyl 5-(4-methylphenyl)-3-phenylhex-5-enoate
CID 130181143
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
3,7-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263
3,7-dimethyloct-6-enyl benzoate;2-(3,7-dimethyloct-6-enyl)benzoic acid
CID 175955108
carbonic acid;3,7-dimethyloct-6-enyl prop-2-enoate
CID 174517653

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate?
The IUPAC name of 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate (CID 146442229) is 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate.
What is the SMILES notation for 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate?
The canonical SMILES for 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate is CC(C)=CCCC(C)CCOC(=O)NC(C)c1ccccc1.
What is the InChIKey of 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate?
The InChIKey is ABGMKGCPFMOMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)9-8-10-16(3)13-14-22-19(21)20-17(4)18-11-6-5-7-12-18/h5-7,9,11-12,16-17H,8,10,13-14H2,1-4H3,(H,20,21).
What are the key properties of 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate?
3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate has a molecular weight of 303.45 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate is sourced from PubChem (CID 146442229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).