benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)

C19H24O9 — CID 174794359

IUPACbenzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
SMILESC=CCOC(=O)O.C=CCOC(=O)O.C=CCOC(=O)OCc1ccccc1
InChIInChI=1S/C11H12O3.2C4H6O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10;2*1-2-3-7-4(5)6/h2-7H,1,8-9H2;2*2H,1,3H2,(H,5,6)
InChIKeyNYMQDRPWQAHNFG-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.26
Rot. Bonds8

About benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)

benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate) (PubChem CID 174794359) has the molecular formula C19H24O9 and a molecular weight of 396.39 g/mol. Its IUPAC name is benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate).

Molecular Properties

Compound Namebenzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
PubChem CID174794359
Molecular FormulaC19H24O9
Molecular Weight396.39 g/mol
Exact Mass396.14
IUPAC Namebenzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
SMILESC=CCOC(=O)O.C=CCOC(=O)O.C=CCOC(=O)OCc1ccccc1
InChIInChI=1S/C11H12O3.2C4H6O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10;2*1-2-3-7-4(5)6/h2-7H,1,8-9H2;2*2H,1,3H2,(H,5,6)
InChIKeyNYMQDRPWQAHNFG-UHFFFAOYSA-N
XLogP4.26
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
CID 66614557
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
CID 174906307
CID 174906307
benzyl 2-ethenoxyethyl carbonate
CID 19813780
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl but-3-enoate
CID 11019385
(4-nitrophenyl)methyl prop-2-enyl carbonate
CID 66609999
benzyl 1-phenylmethoxycarbonyloxybut-3-en-2-yl carbonate
CID 22891815
1-O-benzyl 4-O-prop-2-enyl (2R)-2-aminobutanedioate
CID 11780340
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl 2-hydroxyethyl carbonate
CID 139815197

Frequently Asked Questions

What is the IUPAC name of benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)?
The IUPAC name of benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate) (CID 174794359) is benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate).
What is the SMILES notation for benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)?
The canonical SMILES for benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate) is C=CCOC(=O)O.C=CCOC(=O)O.C=CCOC(=O)OCc1ccccc1.
What is the InChIKey of benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)?
The InChIKey is NYMQDRPWQAHNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.2C4H6O3/c1-2-8-13-11(12)14-9-10-6-4-3-5-7-10;2*1-2-3-7-4(5)6/h2-7H,1,8-9H2;2*2H,1,3H2,(H,5,6).
What are the key properties of benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)?
benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate) has a molecular weight of 396.39 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate) is sourced from PubChem (CID 174794359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).