6-propan-2-yloxyhexylcarbamic acid

C10H21NO3 — CID 126658630

IUPAC6-propan-2-yloxyhexylcarbamic acid
SMILESCC(C)OCCCCCCNC(=O)O
InChIInChI=1S/C10H21NO3/c1-9(2)14-8-6-4-3-5-7-11-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyXHVLAWXGDZUFHF-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.24
Rot. Bonds8

About 6-propan-2-yloxyhexylcarbamic acid

6-propan-2-yloxyhexylcarbamic acid (PubChem CID 126658630) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-propan-2-yloxyhexylcarbamic acid.

Molecular Properties

Compound Name6-propan-2-yloxyhexylcarbamic acid
PubChem CID126658630
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name6-propan-2-yloxyhexylcarbamic acid
SMILESCC(C)OCCCCCCNC(=O)O
InChIInChI=1S/C10H21NO3/c1-9(2)14-8-6-4-3-5-7-11-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyXHVLAWXGDZUFHF-UHFFFAOYSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
CID 158348499
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
CID 106003646
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
2-[methyl(4-propan-2-yloxybutylcarbamoyl)amino]propanoic acid
CID 106004564
5-acetyloxypentylcarbamic acid
CID 151401165

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxyhexylcarbamic acid?
The IUPAC name of 6-propan-2-yloxyhexylcarbamic acid (CID 126658630) is 6-propan-2-yloxyhexylcarbamic acid.
What is the SMILES notation for 6-propan-2-yloxyhexylcarbamic acid?
The canonical SMILES for 6-propan-2-yloxyhexylcarbamic acid is CC(C)OCCCCCCNC(=O)O.
What is the InChIKey of 6-propan-2-yloxyhexylcarbamic acid?
The InChIKey is XHVLAWXGDZUFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2)14-8-6-4-3-5-7-11-10(12)13/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 6-propan-2-yloxyhexylcarbamic acid?
6-propan-2-yloxyhexylcarbamic acid has a molecular weight of 203.28 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxyhexylcarbamic acid is sourced from PubChem (CID 126658630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).