[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid

C16H29NO2 — CID 166940438

IUPAC[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid
SMILESC/C=C/CCC(CC)CC1CCC(NC(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-3-5-6-7-13(4-2)12-14-8-10-15(11-9-14)17-16(18)19/h3,5,13-15,17H,4,6-12H2,1-2H3,(H,18,19)/b5-3+
InChIKeyGYSRUQBPHINONT-HWKANZROSA-N
MW267.41 g/mol
LogP4.59
Rot. Bonds7

About [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid

[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid (PubChem CID 166940438) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid
PubChem CID166940438
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid
SMILESC/C=C/CCC(CC)CC1CCC(NC(=O)O)CC1
InChIInChI=1S/C16H29NO2/c1-3-5-6-7-13(4-2)12-14-8-10-15(11-9-14)17-16(18)19/h3,5,13-15,17H,4,6-12H2,1-2H3,(H,18,19)/b5-3+
InChIKeyGYSRUQBPHINONT-HWKANZROSA-N
XLogP4.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid (CID 166940438) is [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid is C/C=C/CCC(CC)CC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
The InChIKey is GYSRUQBPHINONT-HWKANZROSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-5-6-7-13(4-2)12-14-8-10-15(11-9-14)17-16(18)19/h3,5,13-15,17H,4,6-12H2,1-2H3,(H,18,19)/b5-3+.
What are the key properties of [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid?
[4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid has a molecular weight of 267.41 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-ethylhept-5-enyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 166940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).