tert-butyl(pentoxy)carbamic acid

C10H21NO3 — CID 87302334

IUPACtert-butyl(pentoxy)carbamic acid
SMILESCCCCCON(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-6-7-8-14-11(9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeySHDQBMDVJBMAJO-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.89
Rot. Bonds5

About tert-butyl(pentoxy)carbamic acid

tert-butyl(pentoxy)carbamic acid (PubChem CID 87302334) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is tert-butyl(pentoxy)carbamic acid.

Molecular Properties

Compound Nametert-butyl(pentoxy)carbamic acid
PubChem CID87302334
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametert-butyl(pentoxy)carbamic acid
SMILESCCCCCON(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-6-7-8-14-11(9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13)
InChIKeySHDQBMDVJBMAJO-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;pentylmercury
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2,2-didecoxypropanoic acid
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3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011
dipentyl 2,2,3,3-tetramethylbutanedioate
CID 151610972
carbonic acid;bis(hexane)
CID 173367789
tert-butyl(2-propoxyethyl)carbamic acid
CID 87579706
2-heptoxy-2-methylbutanoic acid
CID 19807820
2-methyl-2-nonadecoxybutanoic acid
CID 88680932
triheptacontyl hydrogen carbonate
CID 142754463
carbonic acid;1-hydroperoxydocosane
CID 175324088
heptaheptacontyl hydrogen carbonate
CID 162768324

Frequently Asked Questions

What is the IUPAC name of tert-butyl(pentoxy)carbamic acid?
The IUPAC name of tert-butyl(pentoxy)carbamic acid (CID 87302334) is tert-butyl(pentoxy)carbamic acid.
What is the SMILES notation for tert-butyl(pentoxy)carbamic acid?
The canonical SMILES for tert-butyl(pentoxy)carbamic acid is CCCCCON(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl(pentoxy)carbamic acid?
The InChIKey is SHDQBMDVJBMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-6-7-8-14-11(9(12)13)10(2,3)4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl(pentoxy)carbamic acid?
tert-butyl(pentoxy)carbamic acid has a molecular weight of 203.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(pentoxy)carbamic acid is sourced from PubChem (CID 87302334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).