carbonic acid;formaldehyde;1-prop-2-enylnaphthalene

C15H16O4 — CID 175360952

IUPACcarbonic acid;formaldehyde;1-prop-2-enylnaphthalene
SMILESC=CCc1cccc2ccccc12.C=O.O=C(O)O
InChIInChI=1S/C13H12.CH2O3.CH2O/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;2-1(3)4;1-2/h2-5,7-10H,1,6H2;(H2,2,3,4);1H2
InChIKeyLOXZLESFBAZVBR-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.61
Rot. Bonds2

About carbonic acid;formaldehyde;1-prop-2-enylnaphthalene

carbonic acid;formaldehyde;1-prop-2-enylnaphthalene (PubChem CID 175360952) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is carbonic acid;formaldehyde;1-prop-2-enylnaphthalene.

Molecular Properties

Compound Namecarbonic acid;formaldehyde;1-prop-2-enylnaphthalene
PubChem CID175360952
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namecarbonic acid;formaldehyde;1-prop-2-enylnaphthalene
SMILESC=CCc1cccc2ccccc12.C=O.O=C(O)O
InChIInChI=1S/C13H12.CH2O3.CH2O/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;2-1(3)4;1-2/h2-5,7-10H,1,6H2;(H2,2,3,4);1H2
InChIKeyLOXZLESFBAZVBR-UHFFFAOYSA-N
XLogP3.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
formaldehyde;1-prop-2-enylnaphthalene;sulfuric acid
CID 70221186
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
3,5-bis(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984848
5-prop-2-enylnaphthalen-1-ol
CID 139534699
2-prop-2-enylbenzoic acid
CID 2752991
1-prop-2-enyltetracene
CID 162689403
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-naphthalen-1-ylacetaldehyde
CID 12570786
2-naphthalen-1-ylacetamide;prop-2-enoic acid
CID 174797435
2-naphthalen-1-yl-N-prop-2-enylacetamide
CID 60636686
4,5-bis(prop-2-enyl)naphthalene-1-carboxylic acid
CID 139984847

Frequently Asked Questions

What is the IUPAC name of carbonic acid;formaldehyde;1-prop-2-enylnaphthalene?
The IUPAC name of carbonic acid;formaldehyde;1-prop-2-enylnaphthalene (CID 175360952) is carbonic acid;formaldehyde;1-prop-2-enylnaphthalene.
What is the SMILES notation for carbonic acid;formaldehyde;1-prop-2-enylnaphthalene?
The canonical SMILES for carbonic acid;formaldehyde;1-prop-2-enylnaphthalene is C=CCc1cccc2ccccc12.C=O.O=C(O)O.
What is the InChIKey of carbonic acid;formaldehyde;1-prop-2-enylnaphthalene?
The InChIKey is LOXZLESFBAZVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.CH2O3.CH2O/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12;2-1(3)4;1-2/h2-5,7-10H,1,6H2;(H2,2,3,4);1H2.
What are the key properties of carbonic acid;formaldehyde;1-prop-2-enylnaphthalene?
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene has a molecular weight of 260.29 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;formaldehyde;1-prop-2-enylnaphthalene is sourced from PubChem (CID 175360952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).