2,2-dimethoxypentyl carbamate

C8H17NO4 — CID 174780889

IUPAC2,2-dimethoxypentyl carbamate
SMILESCCCC(COC(N)=O)(OC)OC
InChIInChI=1S/C8H17NO4/c1-4-5-8(11-2,12-3)6-13-7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyXMUJUSOPVHYKEY-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.87
Rot. Bonds6

About 2,2-dimethoxypentyl carbamate

2,2-dimethoxypentyl carbamate (PubChem CID 174780889) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,2-dimethoxypentyl carbamate.

Molecular Properties

Compound Name2,2-dimethoxypentyl carbamate
PubChem CID174780889
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2,2-dimethoxypentyl carbamate
SMILESCCCC(COC(N)=O)(OC)OC
InChIInChI=1S/C8H17NO4/c1-4-5-8(11-2,12-3)6-13-7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyXMUJUSOPVHYKEY-UHFFFAOYSA-N
XLogP0.87
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
acetic acid;[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 18352582
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
propyl carbamate;dihydrochloride
CID 87576214
2-ethyl-2-methylpentanamide
CID 22376566
ethyl carbamate;platinum
CID 174699937
3-methoxy-3-methylhexan-2-one
CID 83225432
3,3-dimethoxy-4-(3-methoxypentanoyloxy)butanoic acid
CID 146586702
2,2-dichloropropyl carbamate
CID 146611343

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypentyl carbamate?
The IUPAC name of 2,2-dimethoxypentyl carbamate (CID 174780889) is 2,2-dimethoxypentyl carbamate.
What is the SMILES notation for 2,2-dimethoxypentyl carbamate?
The canonical SMILES for 2,2-dimethoxypentyl carbamate is CCCC(COC(N)=O)(OC)OC.
What is the InChIKey of 2,2-dimethoxypentyl carbamate?
The InChIKey is XMUJUSOPVHYKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-4-5-8(11-2,12-3)6-13-7(9)10/h4-6H2,1-3H3,(H2,9,10).
What are the key properties of 2,2-dimethoxypentyl carbamate?
2,2-dimethoxypentyl carbamate has a molecular weight of 191.23 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypentyl carbamate is sourced from PubChem (CID 174780889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).