bis(cyclohept-2-en-1-ylmethyl) carbonate

C17H26O3 — CID 175027779

IUPACbis(cyclohept-2-en-1-ylmethyl) carbonate
SMILESO=C(OCC1C=CCCCC1)OCC1C=CCCCC1
InChIInChI=1S/C17H26O3/c18-17(19-13-15-9-5-1-2-6-10-15)20-14-16-11-7-3-4-8-12-16/h5,7,9,11,15-16H,1-4,6,8,10,12-14H2
InChIKeyBKVRTFICRZRIMR-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.63
Rot. Bonds4

About bis(cyclohept-2-en-1-ylmethyl) carbonate

bis(cyclohept-2-en-1-ylmethyl) carbonate (PubChem CID 175027779) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is bis(cyclohept-2-en-1-ylmethyl) carbonate.

Molecular Properties

Compound Namebis(cyclohept-2-en-1-ylmethyl) carbonate
PubChem CID175027779
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Namebis(cyclohept-2-en-1-ylmethyl) carbonate
SMILESO=C(OCC1C=CCCCC1)OCC1C=CCCCC1
InChIInChI=1S/C17H26O3/c18-17(19-13-15-9-5-1-2-6-10-15)20-14-16-11-7-3-4-8-12-16/h5,7,9,11,15-16H,1-4,6,8,10,12-14H2
InChIKeyBKVRTFICRZRIMR-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.63
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(cyclohept-2-en-1-ylmethyl) carbonate?
The IUPAC name of bis(cyclohept-2-en-1-ylmethyl) carbonate (CID 175027779) is bis(cyclohept-2-en-1-ylmethyl) carbonate.
What is the SMILES notation for bis(cyclohept-2-en-1-ylmethyl) carbonate?
The canonical SMILES for bis(cyclohept-2-en-1-ylmethyl) carbonate is O=C(OCC1C=CCCCC1)OCC1C=CCCCC1.
What is the InChIKey of bis(cyclohept-2-en-1-ylmethyl) carbonate?
The InChIKey is BKVRTFICRZRIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c18-17(19-13-15-9-5-1-2-6-10-15)20-14-16-11-7-3-4-8-12-16/h5,7,9,11,15-16H,1-4,6,8,10,12-14H2.
What are the key properties of bis(cyclohept-2-en-1-ylmethyl) carbonate?
bis(cyclohept-2-en-1-ylmethyl) carbonate has a molecular weight of 278.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohept-2-en-1-ylmethyl) carbonate is sourced from PubChem (CID 175027779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).