[4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid

C11H23NO3 — CID 174652993

IUPAC[4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid
SMILESCCCC(C)(CO)CC(C)(C)NC(=O)O
InChIInChI=1S/C11H23NO3/c1-5-6-11(4,8-13)7-10(2,3)12-9(14)15/h12-13H,5-8H2,1-4H3,(H,14,15)
InChIKeyDRDAORLERSSJOE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.22
Rot. Bonds6

About [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid

[4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid (PubChem CID 174652993) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid
PubChem CID174652993
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid
SMILESCCCC(C)(CO)CC(C)(C)NC(=O)O
InChIInChI=1S/C11H23NO3/c1-5-6-11(4,8-13)7-10(2,3)12-9(14)15/h12-13H,5-8H2,1-4H3,(H,14,15)
InChIKeyDRDAORLERSSJOE-UHFFFAOYSA-N
XLogP2.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid?
The IUPAC name of [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid (CID 174652993) is [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid.
What is the SMILES notation for [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid?
The canonical SMILES for [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid is CCCC(C)(CO)CC(C)(C)NC(=O)O.
What is the InChIKey of [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid?
The InChIKey is DRDAORLERSSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-6-11(4,8-13)7-10(2,3)12-9(14)15/h12-13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid?
[4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid has a molecular weight of 217.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2,4-dimethylheptan-2-yl]carbamic acid is sourced from PubChem (CID 174652993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).