carbamic acid;octan-1-ol

C9H21NO3 — CID 175180386

IUPACcarbamic acid;octan-1-ol
SMILESCCCCCCCCO.NC(=O)O
InChIInChI=1S/C8H18O.CH3NO2/c1-2-3-4-5-6-7-8-9;2-1(3)4/h9H,2-8H2,1H3;2H2,(H,3,4)
InChIKeyDRCPKNYWXLRRFA-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.96
Rot. Bonds6

About carbamic acid;octan-1-ol

carbamic acid;octan-1-ol (PubChem CID 175180386) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is carbamic acid;octan-1-ol.

Molecular Properties

Compound Namecarbamic acid;octan-1-ol
PubChem CID175180386
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Namecarbamic acid;octan-1-ol
SMILESCCCCCCCCO.NC(=O)O
InChIInChI=1S/C8H18O.CH3NO2/c1-2-3-4-5-6-7-8-9;2-1(3)4/h9H,2-8H2,1H3;2H2,(H,3,4)
InChIKeyDRCPKNYWXLRRFA-UHFFFAOYSA-N
XLogP1.96
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbamic acid;octan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octadecan-1-ol;propanoic acid
CID 158858583
heptan-1-ol;hydrazine
CID 159330416
hexan-1-ol;nonane
CID 175106830
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of carbamic acid;octan-1-ol?
The IUPAC name of carbamic acid;octan-1-ol (CID 175180386) is carbamic acid;octan-1-ol.
What is the SMILES notation for carbamic acid;octan-1-ol?
The canonical SMILES for carbamic acid;octan-1-ol is CCCCCCCCO.NC(=O)O.
What is the InChIKey of carbamic acid;octan-1-ol?
The InChIKey is DRCPKNYWXLRRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.CH3NO2/c1-2-3-4-5-6-7-8-9;2-1(3)4/h9H,2-8H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;octan-1-ol?
carbamic acid;octan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;octan-1-ol is sourced from PubChem (CID 175180386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).