CID 177468382

C8H11O2 — CID 177468382

IUPAC—
SMILESC/C=C1/COC[C]1CC=O
InChIInChI=1S/C8H11O2/c1-2-7-5-10-6-8(7)3-4-9/h2,4H,3,5-6H2,1H3/b7-2-
InChIKeyXSRVUBAUHLNXJX-UQCOIBPSSA-N
MW139.17 g/mol
LogP1.13
Rot. Bonds2

About CID 177468382

CID 177468382 (PubChem CID 177468382) has the molecular formula C8H11O2 and a molecular weight of 139.17 g/mol.

Molecular Properties

Compound NameCID 177468382
PubChem CID177468382
Molecular FormulaC8H11O2
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name—
SMILESC/C=C1/COC[C]1CC=O
InChIInChI=1S/C8H11O2/c1-2-7-5-10-6-8(7)3-4-9/h2,4H,3,5-6H2,1H3/b7-2-
InChIKeyXSRVUBAUHLNXJX-UQCOIBPSSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-Ethylidene-4-(2-oxoethyl)tetrahydrofuran-2-one
CID 10080588
(E)-4-[(3R,4Z)-4-ethylidene-5-oxooxolan-3-yl]but-2-enal
CID 133633108
2-(3,6-dihydro-2H-pyran-4-yl)propanal
CID 91285053
2-[(3S,4E)-4-ethylidene-5-oxooxolan-3-yl]acetaldehyde
CID 10397025
2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde
CID 101338935
1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one
CID 102092377
2-[(3S,4Z)-4-ethylidene-5-oxooxolan-3-yl]acetaldehyde
CID 102379210
(E)-4-[(4Z)-4-ethylidene-5-oxooxolan-3-yl]but-2-enal
CID 133625432
2-[(4Z)-4-ethylideneoxolan-3-yl]acetaldehyde
CID 133666944
(3R,4Z)-4-Ethylidenetetrahydro-5-oxo-3-furanacetaldehyde
CID 155893522
2-[(4Z)-4-ethylidene-5-oxooxolan-3-yl]acetaldehyde
CID 167996304
2-[(2R,3S,4E)-4-ethylidene-2-methyloxolan-3-yl]acetaldehyde
CID 177447520

Frequently Asked Questions

What is the IUPAC name of CID 177468382?
The IUPAC name of CID 177468382 (CID 177468382) is not available.
What is the SMILES notation for CID 177468382?
The canonical SMILES for CID 177468382 is C/C=C1/COC[C]1CC=O.
What is the InChIKey of CID 177468382?
The InChIKey is XSRVUBAUHLNXJX-UQCOIBPSSA-N. The full InChI is InChI=1S/C8H11O2/c1-2-7-5-10-6-8(7)3-4-9/h2,4H,3,5-6H2,1H3/b7-2-.
What are the key properties of CID 177468382?
CID 177468382 has a molecular weight of 139.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177468382 is sourced from PubChem (CID 177468382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).