CID 14970672

C5H9O — CID 14970672

IUPAC—
SMILES[CH]1CCCCO1
InChIInChI=1S/C5H9O/c1-2-4-6-5-3-1/h4H,1-3,5H2
InChIKeyADJPNXDTTBCKTM-UHFFFAOYSA-N
MW85.13 g/mol
LogP1.35
Rot. Bonds

About CID 14970672

CID 14970672 (PubChem CID 14970672) has the molecular formula C5H9O and a molecular weight of 85.13 g/mol.

Molecular Properties

Compound NameCID 14970672
PubChem CID14970672
Molecular FormulaC5H9O
Molecular Weight85.13 g/mol
Exact Mass85.07
IUPAC Name—
SMILES[CH]1CCCCO1
InChIInChI=1S/C5H9O/c1-2-4-6-5-3-1/h4H,1-3,5H2
InChIKeyADJPNXDTTBCKTM-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydropyran
CID 8894
4-iodotetrahydro-2H-pyran
CID 2795506
3-Iodo-tetrahydro-pyran
CID 12251086
2H-Pyran, 3-fluorotetrahydro-
CID 10942361
2-Fluorooxane
CID 18472016
(5S)-5-fluoro-3,4,5,6-tetrahydro-2H-pyran-6-ylium
CID 134857993
2-Iodotetrahydro-2H-pyran
CID 12714357
Tetrahydro-2h-pyran hydrogen chloride
CID 19792615
Tetrahydro-2h-pyran water
CID 21703503
3,4,5,6-tetrahydro-2H-pyran-6-ylium
CID 22983066
CID 23574176
CID 23574176
Tetrahydropyran-4-ylzinc iodide, 0.50 M in THF
CID 58548435

Frequently Asked Questions

What is the IUPAC name of CID 14970672?
The IUPAC name of CID 14970672 (CID 14970672) is not available.
What is the SMILES notation for CID 14970672?
The canonical SMILES for CID 14970672 is [CH]1CCCCO1.
What is the InChIKey of CID 14970672?
The InChIKey is ADJPNXDTTBCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O/c1-2-4-6-5-3-1/h4H,1-3,5H2.
What are the key properties of CID 14970672?
CID 14970672 has a molecular weight of 85.13 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14970672 is sourced from PubChem (CID 14970672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).