(5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate

C14H24O3 — CID 20329930

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate
SMILESCC1CCC(C(C1)OC(=O)OC(=C)C)C(C)C
InChIInChI=1S/C14H24O3/c1-9(2)12-7-6-11(5)8-13(12)17-14(15)16-10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyANPOVRCDYYOXCK-UHFFFAOYSA-N
MW240.34 g/mol
LogP4.90
Rot. Bonds5

About (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate

(5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate (PubChem CID 20329930) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate.

Molecular Properties

Compound Name(5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate
PubChem CID20329930
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate
SMILESCC1CCC(C(C1)OC(=O)OC(=C)C)C(C)C
InChIInChI=1S/C14H24O3/c1-9(2)12-7-6-11(5)8-13(12)17-14(15)16-10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3
InChIKeyANPOVRCDYYOXCK-UHFFFAOYSA-N
XLogP4.90
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity283

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate?
The IUPAC name of (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate (CID 20329930) is (5-methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate.
What is the SMILES notation for (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate?
The canonical SMILES for (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate is CC1CCC(C(C1)OC(=O)OC(=C)C)C(C)C.
What is the InChIKey of (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate?
The InChIKey is ANPOVRCDYYOXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-9(2)12-7-6-11(5)8-13(12)17-14(15)16-10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3.
What are the key properties of (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate?
(5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate has a molecular weight of 240.34 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-Methyl-2-propan-2-ylcyclohexyl) prop-1-en-2-yl carbonate is sourced from PubChem (CID 20329930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).