3,7-dimethyloctyl sulfamate

C10H23NO3S — CID 91844921

IUPAC3,7-dimethyloctyl sulfamate
SMILESCC(C)CCCC(C)CCOS(N)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h9-10H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyPXMWYGQRHRSHSN-UHFFFAOYSA-N
MW237.36 g/mol
LogP2.06
Rot. Bonds8

About 3,7-dimethyloctyl sulfamate

3,7-dimethyloctyl sulfamate (PubChem CID 91844921) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 3,7-dimethyloctyl sulfamate.

Molecular Properties

Compound Name3,7-dimethyloctyl sulfamate
PubChem CID91844921
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name3,7-dimethyloctyl sulfamate
SMILESCC(C)CCCC(C)CCOS(N)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h9-10H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyPXMWYGQRHRSHSN-UHFFFAOYSA-N
XLogP2.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfuric acid, mono(2-ethylhexyl) ester, ammonium salt (1:1)
CID 53470896
(7-Ethyl-2-methylundecan-4-yl) sulfate;hydron
CID 173181972
Sulfamic acid, (1-methylcyclohexyl)methyl ester
CID 11506708
2-Propylpentyl Sulfamate
CID 71718858
(7-Ethyl-2-methylundecan-4-yl) sulfate
CID 3711576
Sodium 2-butyloctyl sulfate
CID 23679910
2-Butyloctyl sulfate
CID 135398111
Ammonium isodecyl sulphate
CID 57354781
(4R)-4,8-dimethylnonyl hydrogen sulfate
CID 24796508
2-Methyloctan-4-yl sulfamate
CID 91862954
Ammonium isooctyl sulfate
CID 172699589
(4R)-4,8-dimethylnonyl sulfate
CID 24796507

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctyl sulfamate?
The IUPAC name of 3,7-dimethyloctyl sulfamate (CID 91844921) is 3,7-dimethyloctyl sulfamate.
What is the SMILES notation for 3,7-dimethyloctyl sulfamate?
The canonical SMILES for 3,7-dimethyloctyl sulfamate is CC(C)CCCC(C)CCOS(N)(=O)=O.
What is the InChIKey of 3,7-dimethyloctyl sulfamate?
The InChIKey is PXMWYGQRHRSHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h9-10H,4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 3,7-dimethyloctyl sulfamate?
3,7-dimethyloctyl sulfamate has a molecular weight of 237.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctyl sulfamate is sourced from PubChem (CID 91844921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).