(2,3,6-trimethylcyclohexyl) carbamate

C10H19NO2 — CID 150007064

IUPAC(2,3,6-trimethylcyclohexyl) carbamate
SMILESCC1CCC(C)C(OC(N)=O)C1C
InChIInChI=1S/C10H19NO2/c1-6-4-5-7(2)9(8(6)3)13-10(11)12/h6-9H,4-5H2,1-3H3,(H2,11,12)
InChIKeyDCMWJHDWAFFNFL-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.15
Rot. Bonds1

About (2,3,6-trimethylcyclohexyl) carbamate

(2,3,6-trimethylcyclohexyl) carbamate (PubChem CID 150007064) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2,3,6-trimethylcyclohexyl) carbamate.

Molecular Properties

Compound Name(2,3,6-trimethylcyclohexyl) carbamate
PubChem CID150007064
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2,3,6-trimethylcyclohexyl) carbamate
SMILESCC1CCC(C)C(OC(N)=O)C1C
InChIInChI=1S/C10H19NO2/c1-6-4-5-7(2)9(8(6)3)13-10(11)12/h6-9H,4-5H2,1-3H3,(H2,11,12)
InChIKeyDCMWJHDWAFFNFL-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,6-trimethylcyclohexyl) carbamate?
The IUPAC name of (2,3,6-trimethylcyclohexyl) carbamate (CID 150007064) is (2,3,6-trimethylcyclohexyl) carbamate.
What is the SMILES notation for (2,3,6-trimethylcyclohexyl) carbamate?
The canonical SMILES for (2,3,6-trimethylcyclohexyl) carbamate is CC1CCC(C)C(OC(N)=O)C1C.
What is the InChIKey of (2,3,6-trimethylcyclohexyl) carbamate?
The InChIKey is DCMWJHDWAFFNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-4-5-7(2)9(8(6)3)13-10(11)12/h6-9H,4-5H2,1-3H3,(H2,11,12).
What are the key properties of (2,3,6-trimethylcyclohexyl) carbamate?
(2,3,6-trimethylcyclohexyl) carbamate has a molecular weight of 185.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6-trimethylcyclohexyl) carbamate is sourced from PubChem (CID 150007064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).