bis(cyclohexen-1-ylmethyl) carbonate

C15H22O3 — CID 57226150

IUPACbis(cyclohexen-1-ylmethyl) carbonate
SMILESO=C(OCC1=CCCCC1)OCC1=CCCCC1
InChIInChI=1S/C15H22O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h7,9H,1-6,8,10-12H2
InChIKeyWEHZSBCTHMGZCV-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.14
Rot. Bonds4

About bis(cyclohexen-1-ylmethyl) carbonate

bis(cyclohexen-1-ylmethyl) carbonate (PubChem CID 57226150) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is bis(cyclohexen-1-ylmethyl) carbonate.

Molecular Properties

Compound Namebis(cyclohexen-1-ylmethyl) carbonate
PubChem CID57226150
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namebis(cyclohexen-1-ylmethyl) carbonate
SMILESO=C(OCC1=CCCCC1)OCC1=CCCCC1
InChIInChI=1S/C15H22O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h7,9H,1-6,8,10-12H2
InChIKeyWEHZSBCTHMGZCV-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
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 bis(cyclohexen-1-ylmethyl) carbonate?
The IUPAC name of bis(cyclohexen-1-ylmethyl) carbonate (CID 57226150) is bis(cyclohexen-1-ylmethyl) carbonate.
What is the SMILES notation for bis(cyclohexen-1-ylmethyl) carbonate?
The canonical SMILES for bis(cyclohexen-1-ylmethyl) carbonate is O=C(OCC1=CCCCC1)OCC1=CCCCC1.
What is the InChIKey of bis(cyclohexen-1-ylmethyl) carbonate?
The InChIKey is WEHZSBCTHMGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h7,9H,1-6,8,10-12H2.
What are the key properties of bis(cyclohexen-1-ylmethyl) carbonate?
bis(cyclohexen-1-ylmethyl) carbonate has a molecular weight of 250.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexen-1-ylmethyl) carbonate is sourced from PubChem (CID 57226150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).