[4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate

C14H21NO — CID 146341755

IUPAC[4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate
SMILESN#COC1CCC(CC2C=CCCC2)CC1
InChIInChI=1S/C14H21NO/c15-11-16-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h2,4,12-14H,1,3,5-10H2
InChIKeyNKBLVOUIHPEERV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.79
Rot. Bonds3

About [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate

[4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate (PubChem CID 146341755) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate.

Molecular Properties

Compound Name[4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate
PubChem CID146341755
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate
SMILESN#COC1CCC(CC2C=CCCC2)CC1
InChIInChI=1S/C14H21NO/c15-11-16-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h2,4,12-14H,1,3,5-10H2
InChIKeyNKBLVOUIHPEERV-UHFFFAOYSA-N
XLogP3.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate?
The IUPAC name of [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate (CID 146341755) is [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate.
What is the SMILES notation for [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate?
The canonical SMILES for [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate is N#COC1CCC(CC2C=CCCC2)CC1.
What is the InChIKey of [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate?
The InChIKey is NKBLVOUIHPEERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-11-16-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h2,4,12-14H,1,3,5-10H2.
What are the key properties of [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate?
[4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate has a molecular weight of 219.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohex-2-en-1-ylmethyl)cyclohexyl] cyanate is sourced from PubChem (CID 146341755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).