carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane

C16H27NO4 — CID 174678636

IUPACcarbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane
SMILESCC1(C)C(CC2CCCCC2)CC2OC23OC13.NC(=O)O
InChIInChI=1S/C15H24O2.CH3NO2/c1-14(2)11(8-10-6-4-3-5-7-10)9-12-15(16-12)13(14)17-15;2-1(3)4/h10-13H,3-9H2,1-2H3;2H2,(H,3,4)
InChIKeyJSKPFTZBQYYCOD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.12
Rot. Bonds2

About carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane

carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane (PubChem CID 174678636) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane.

Molecular Properties

Compound Namecarbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane
PubChem CID174678636
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Namecarbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane
SMILESCC1(C)C(CC2CCCCC2)CC2OC23OC13.NC(=O)O
InChIInChI=1S/C15H24O2.CH3NO2/c1-14(2)11(8-10-6-4-3-5-7-10)9-12-15(16-12)13(14)17-15;2-1(3)4/h10-13H,3-9H2,1-2H3;2H2,(H,3,4)
InChIKeyJSKPFTZBQYYCOD-UHFFFAOYSA-N
XLogP3.12
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane?
The IUPAC name of carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane (CID 174678636) is carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane.
What is the SMILES notation for carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane?
The canonical SMILES for carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane is CC1(C)C(CC2CCCCC2)CC2OC23OC13.NC(=O)O.
What is the InChIKey of carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane?
The InChIKey is JSKPFTZBQYYCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.CH3NO2/c1-14(2)11(8-10-6-4-3-5-7-10)9-12-15(16-12)13(14)17-15;2-1(3)4/h10-13H,3-9H2,1-2H3;2H2,(H,3,4).
What are the key properties of carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane?
carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane has a molecular weight of 297.40 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;5-(cyclohexylmethyl)-4,4-dimethyl-2,8-dioxatricyclo[5.1.0.01,3]octane is sourced from PubChem (CID 174678636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).