CID 91110025

C4H10 — CID 91110025

IUPAC—
SMILES[2H]/C(C)=C(/[2H])C.[2H][2H]
InChIInChI=1S/C4H8.H2/c1-3-4-2;/h3-4H,1-2H3;1H/b4-3+;/i3D,4D;1+1D
InChIKeySLPOKWOYNZVJPC-QTQHPAFRSA-N
MW62.15 g/mol
LogP1.83
Rot. Bonds

About CID 91110025

CID 91110025 (PubChem CID 91110025) has the molecular formula C4H10 and a molecular weight of 62.15 g/mol.

Molecular Properties

Compound NameCID 91110025
PubChem CID91110025
Molecular FormulaC4H10
Molecular Weight62.15 g/mol
Exact Mass62.10
IUPAC Name—
SMILES[2H]/C(C)=C(/[2H])C.[2H][2H]
InChIInChI=1S/C4H8.H2/c1-3-4-2;/h3-4H,1-2H3;1H/b4-3+;/i3D,4D;1+1D
InChIKeySLPOKWOYNZVJPC-QTQHPAFRSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.15
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-deuterio-1-fluoroprop-1-ene
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2,3-dideuteriobut-2-enal
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(E)-2,3-dideuteriohex-2-en-4-yne;(2E,4E)-2,3,4,5-tetradeuteriohexa-2,4-diene
CID 161177189
2,3-dideuteriobut-2-en-1-ol
CID 177230382
1-deuterioethanone;methane;1,2,2,2-tetradeuterioethanone;2,2,2-trideuterioacetaldehyde
CID 158901930
actinium;(E)-prop-1-en-1-ol
CID 59069824
deuterioformic acid;tungsten
CID 59061397
acetaldehyde;formic acid;methanol
CID 160616395
acetaldehyde;formic acid;methane
CID 175120865
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
ethanetellural
CID 57468082
CID 90944922
CID 90944922

Frequently Asked Questions

What is the IUPAC name of CID 91110025?
The IUPAC name of CID 91110025 (CID 91110025) is not available.
What is the SMILES notation for CID 91110025?
The canonical SMILES for CID 91110025 is [2H]/C(C)=C(/[2H])C.[2H][2H].
What is the InChIKey of CID 91110025?
The InChIKey is SLPOKWOYNZVJPC-QTQHPAFRSA-N. The full InChI is InChI=1S/C4H8.H2/c1-3-4-2;/h3-4H,1-2H3;1H/b4-3+;/i3D,4D;1+1D.
What are the key properties of CID 91110025?
CID 91110025 has a molecular weight of 62.15 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91110025 is sourced from PubChem (CID 91110025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).