CID 57418783

C9H19 — CID 57418783

IUPAC—
SMILESCCCC[CH]CCCC
InChIInChI=1S/C9H19/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyZCYXXKJEDCHMGH-UHFFFAOYSA-N
MW127.25 g/mol
LogP3.57
Rot. Bonds6

About CID 57418783

CID 57418783 (PubChem CID 57418783) has the molecular formula C9H19 and a molecular weight of 127.25 g/mol.

Molecular Properties

Compound NameCID 57418783
PubChem CID57418783
Molecular FormulaC9H19
Molecular Weight127.25 g/mol
Exact Mass127.15
IUPAC Name—
SMILESCCCC[CH]CCCC
InChIInChI=1S/C9H19/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyZCYXXKJEDCHMGH-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(4E,9Z)-tetradeca-4,9-diene
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CID 102464486
CID 102464486
pentanal;stannane
CID 173131916
docos-5-ene
CID 54227700
neodymium;pentanal
CID 87838749
nonadec-5-ene
CID 543596
but-1-ene;tetrakis(hex-1-ene)
CID 22000755

Frequently Asked Questions

What is the IUPAC name of CID 57418783?
The IUPAC name of CID 57418783 (CID 57418783) is not available.
What is the SMILES notation for CID 57418783?
The canonical SMILES for CID 57418783 is CCCC[CH]CCCC.
What is the InChIKey of CID 57418783?
The InChIKey is ZCYXXKJEDCHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of CID 57418783?
CID 57418783 has a molecular weight of 127.25 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57418783 is sourced from PubChem (CID 57418783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).