(5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate

C11H16O3 — CID 13440036

IUPAC(5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate
SMILESC=C1C=C(OC(=O)OC)CC(C)(C)C1
InChIInChI=1S/C11H16O3/c1-8-5-9(14-10(12)13-4)7-11(2,3)6-8/h5H,1,6-7H2,2-4H3
InChIKeyNXLNPSKXIYQCHY-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.03
Rot. Bonds1

About (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate

(5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate (PubChem CID 13440036) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate.

Molecular Properties

Compound Name(5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate
PubChem CID13440036
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate
SMILESC=C1C=C(OC(=O)OC)CC(C)(C)C1
InChIInChI=1S/C11H16O3/c1-8-5-9(14-10(12)13-4)7-11(2,3)6-8/h5H,1,6-7H2,2-4H3
InChIKeyNXLNPSKXIYQCHY-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate?
The IUPAC name of (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate (CID 13440036) is (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate.
What is the SMILES notation for (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate?
The canonical SMILES for (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate is C=C1C=C(OC(=O)OC)CC(C)(C)C1.
What is the InChIKey of (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate?
The InChIKey is NXLNPSKXIYQCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-5-9(14-10(12)13-4)7-11(2,3)6-8/h5H,1,6-7H2,2-4H3.
What are the key properties of (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate?
(5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate has a molecular weight of 196.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-3-methylidenecyclohexen-1-yl) methyl carbonate is sourced from PubChem (CID 13440036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).