CID 102351890

C6H11O — CID 102351890

IUPAC—
SMILESC=CCO[C](C)C
InChIInChI=1S/C6H11O/c1-4-5-7-6(2)3/h4H,1,5H2,2-3H3
InChIKeyJZNCYVFTVSIYSM-UHFFFAOYSA-N
MW99.15 g/mol
LogP1.76
Rot. Bonds3

About CID 102351890

CID 102351890 (PubChem CID 102351890) has the molecular formula C6H11O and a molecular weight of 99.15 g/mol.

Molecular Properties

Compound NameCID 102351890
PubChem CID102351890
Molecular FormulaC6H11O
Molecular Weight99.15 g/mol
Exact Mass99.08
IUPAC Name—
SMILESC=CCO[C](C)C
InChIInChI=1S/C6H11O/c1-4-5-7-6(2)3/h4H,1,5H2,2-3H3
InChIKeyJZNCYVFTVSIYSM-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-prop-2-enoxybut-2-ene
CID 102099599
O-prop-2-enyl 2-methylprop-2-enethioate
CID 59050365
3-prop-2-enoxybut-3-en-2-one
CID 71774350
butan-2-one;prop-2-enyl acetate
CID 118347758
propan-2-one;prop-2-enyl propanoate
CID 174904905
4-prop-2-enoxypent-3-en-2-one
CID 71367685
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl 4-hydroxy-3-methylbut-3-enoate
CID 173153016
bis(prop-2-enyl) carbonate;ethene
CID 87465968
azane;prop-2-enyl propanoate
CID 87729437
1-prop-2-enoxybut-1-en-1-ol
CID 76598175
(Z)-2-prop-2-enoxybut-2-enal
CID 87497193

Frequently Asked Questions

What is the IUPAC name of CID 102351890?
The IUPAC name of CID 102351890 (CID 102351890) is not available.
What is the SMILES notation for CID 102351890?
The canonical SMILES for CID 102351890 is C=CCO[C](C)C.
What is the InChIKey of CID 102351890?
The InChIKey is JZNCYVFTVSIYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O/c1-4-5-7-6(2)3/h4H,1,5H2,2-3H3.
What are the key properties of CID 102351890?
CID 102351890 has a molecular weight of 99.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102351890 is sourced from PubChem (CID 102351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).