CID 12603478

C5H9 — CID 12603478

IUPAC—
SMILESC=CC[CH]C
InChIInChI=1S/C5H9/c1-3-5-4-2/h3-4H,1,5H2,2H3
InChIKeyNPGXUJOSIYCOPK-UHFFFAOYSA-N
MW69.13 g/mol
LogP1.79
Rot. Bonds2

About CID 12603478

CID 12603478 (PubChem CID 12603478) has the molecular formula C5H9 and a molecular weight of 69.13 g/mol.

Molecular Properties

Compound NameCID 12603478
PubChem CID12603478
Molecular FormulaC5H9
Molecular Weight69.13 g/mol
Exact Mass69.07
IUPAC Name—
SMILESC=CC[CH]C
InChIInChI=1S/C5H9/c1-3-5-4-2/h3-4H,1,5H2,2H3
InChIKeyNPGXUJOSIYCOPK-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.13
LogP ≤ 51.79
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

hexa-1,4-diene
CID 163631115
hexa-1,4-diene;hydrate
CID 162019515
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
prop-1-ene
CID 162178440
prop-1-ene;prop-2-enylsilane
CID 174483592
dodeca-1,4,10-triene
CID 174048310
acetic acid;hexa-1,4-diene
CID 174398643
trideca-1,4,11-triene
CID 172759150
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
3-chloroprop-1-ene;prop-1-ene;hydrochloride
CID 173189425
but-3-enal;cobalt
CID 87178238

Frequently Asked Questions

What is the IUPAC name of CID 12603478?
The IUPAC name of CID 12603478 (CID 12603478) is not available.
What is the SMILES notation for CID 12603478?
The canonical SMILES for CID 12603478 is C=CC[CH]C.
What is the InChIKey of CID 12603478?
The InChIKey is NPGXUJOSIYCOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9/c1-3-5-4-2/h3-4H,1,5H2,2H3.
What are the key properties of CID 12603478?
CID 12603478 has a molecular weight of 69.13 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12603478 is sourced from PubChem (CID 12603478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).