ethane;pentyl carbamate

C8H19NO2 — CID 142339635

IUPACethane;pentyl carbamate
SMILESCC.CCCCCOC(N)=O
InChIInChI=1S/C6H13NO2.C2H6/c1-2-3-4-5-9-6(7)8;1-2/h2-5H2,1H3,(H2,7,8);1-2H3
InChIKeyMDTZUAQQLMGJSD-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.30
Rot. Bonds4

About ethane;pentyl carbamate

ethane;pentyl carbamate (PubChem CID 142339635) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;pentyl carbamate.

Molecular Properties

Compound Nameethane;pentyl carbamate
PubChem CID142339635
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethane;pentyl carbamate
SMILESCC.CCCCCOC(N)=O
InChIInChI=1S/C6H13NO2.C2H6/c1-2-3-4-5-9-6(7)8;1-2/h2-5H2,1H3,(H2,7,8);1-2H3
InChIKeyMDTZUAQQLMGJSD-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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butyl carbamate;hydroiodide
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(6-carbamoyloxy-6-triacontylhexatriacontyl) carbamate
CID 123442125
tetratriacontyl carbonobromidate
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butyl carbamate;prop-2-enamide
CID 174431220
acetic acid;(Z)-tetradec-5-ene;[(Z)-tetradec-9-enyl] carbamate
CID 174912776
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
heptyl octyl carbonate
CID 21498015

Frequently Asked Questions

What is the IUPAC name of ethane;pentyl carbamate?
The IUPAC name of ethane;pentyl carbamate (CID 142339635) is ethane;pentyl carbamate.
What is the SMILES notation for ethane;pentyl carbamate?
The canonical SMILES for ethane;pentyl carbamate is CC.CCCCCOC(N)=O.
What is the InChIKey of ethane;pentyl carbamate?
The InChIKey is MDTZUAQQLMGJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6/c1-2-3-4-5-9-6(7)8;1-2/h2-5H2,1H3,(H2,7,8);1-2H3.
What are the key properties of ethane;pentyl carbamate?
ethane;pentyl carbamate has a molecular weight of 161.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentyl carbamate is sourced from PubChem (CID 142339635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).