propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate

C14H22O6 — CID 135076991

IUPACpropan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate
SMILESCC(C)OC(=O)O[C@@H]1C=C[C@H](OC(=O)OC(C)C)CC1
InChIInChI=1S/C14H22O6/c1-9(2)17-13(15)19-11-5-7-12(8-6-11)20-14(16)18-10(3)4/h5,7,9-12H,6,8H2,1-4H3/t11-,12+
InChIKeyIUDHCNQZUYCHHT-TXEJJXNPSA-N
MW286.32 g/mol
LogP3.20
Rot. Bonds4

About propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate

propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate (PubChem CID 135076991) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate.

Molecular Properties

Compound Namepropan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate
PubChem CID135076991
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Namepropan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate
SMILESCC(C)OC(=O)O[C@@H]1C=C[C@H](OC(=O)OC(C)C)CC1
InChIInChI=1S/C14H22O6/c1-9(2)17-13(15)19-11-5-7-12(8-6-11)20-14(16)18-10(3)4/h5,7,9-12H,6,8H2,1-4H3/t11-,12+
InChIKeyIUDHCNQZUYCHHT-TXEJJXNPSA-N
XLogP3.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate?
The IUPAC name of propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate (CID 135076991) is propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate.
What is the SMILES notation for propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate?
The canonical SMILES for propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate is CC(C)OC(=O)O[C@@H]1C=C[C@H](OC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate?
The InChIKey is IUDHCNQZUYCHHT-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H22O6/c1-9(2)17-13(15)19-11-5-7-12(8-6-11)20-14(16)18-10(3)4/h5,7,9-12H,6,8H2,1-4H3/t11-,12+.
What are the key properties of propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate?
propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate has a molecular weight of 286.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl [(1R,4S)-4-propan-2-yloxycarbonyloxycyclohex-2-en-1-yl] carbonate is sourced from PubChem (CID 135076991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).