carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene

C10H18O4 — CID 87667724

IUPACcarbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
SMILESC=CC.C=CCOCC=C.O=C(O)O
InChIInChI=1S/C6H10O.C3H6.CH2O3/c1-3-5-7-6-4-2;1-3-2;2-1(3)4/h3-4H,1-2,5-6H2;3H,1H2,2H3;(H2,2,3,4)
InChIKeyJICUWAVPRRGPHF-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.79
Rot. Bonds4

About carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene

carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene (PubChem CID 87667724) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Namecarbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
PubChem CID87667724
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecarbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
SMILESC=CC.C=CCOCC=C.O=C(O)O
InChIInChI=1S/C6H10O.C3H6.CH2O3/c1-3-5-7-6-4-2;1-3-2;2-1(3)4/h3-4H,1-2,5-6H2;3H,1H2,2H3;(H2,2,3,4)
InChIKeyJICUWAVPRRGPHF-UHFFFAOYSA-N
XLogP2.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
carbonic acid;phosphane;prop-1-ene
CID 174648548
2-aminoacetic acid;methane;3-prop-2-enoxyprop-1-ene;hydrofluoride
CID 174873237
acetic acid;carbonic acid;prop-1-ene
CID 87718804
CID 87625662
CID 87625662
Potassium allyloxide
CID 87828396
2-hydroxypropanethioic S-acid;3-prop-2-enoxyprop-1-ene
CID 86631788
(E)-5-prop-2-enoxypent-3-en-2-one
CID 45085584
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
2-prop-2-enoxyacetate
CID 19028340

Frequently Asked Questions

What is the IUPAC name of carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene?
The IUPAC name of carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene (CID 87667724) is carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene is C=CC.C=CCOCC=C.O=C(O)O.
What is the InChIKey of carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene?
The InChIKey is JICUWAVPRRGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H6.CH2O3/c1-3-5-7-6-4-2;1-3-2;2-1(3)4/h3-4H,1-2,5-6H2;3H,1H2,2H3;(H2,2,3,4).
What are the key properties of carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene?
carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene has a molecular weight of 202.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 87667724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).