(5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate

C11H19NO3 — CID 117066628

IUPAC(5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate
SMILESC=CCC1(COC(N)=O)COC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-4-5-11(7-14-9(12)13)6-10(2,3)15-8-11/h4H,1,5-8H2,2-3H3,(H2,12,13)
InChIKeyLGECOUVPUMXADZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.84
Rot. Bonds4

About (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate

(5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate (PubChem CID 117066628) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate.

Molecular Properties

Compound Name(5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate
PubChem CID117066628
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate
SMILESC=CCC1(COC(N)=O)COC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-4-5-11(7-14-9(12)13)6-10(2,3)15-8-11/h4H,1,5-8H2,2-3H3,(H2,12,13)
InChIKeyLGECOUVPUMXADZ-UHFFFAOYSA-N
XLogP1.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate?
The IUPAC name of (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate (CID 117066628) is (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate.
What is the SMILES notation for (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate?
The canonical SMILES for (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate is C=CCC1(COC(N)=O)COC(C)(C)C1.
What is the InChIKey of (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate?
The InChIKey is LGECOUVPUMXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-11(7-14-9(12)13)6-10(2,3)15-8-11/h4H,1,5-8H2,2-3H3,(H2,12,13).
What are the key properties of (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate?
(5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-3-prop-2-enyloxolan-3-yl)methyl carbamate is sourced from PubChem (CID 117066628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).