CID 57482386

C8H15O — CID 57482386

IUPAC—
SMILES[CH2]COC/C=C/CCC
InChIInChI=1S/C8H15O/c1-3-5-6-7-8-9-4-2/h6-7H,2-5,8H2,1H3/b7-6+
InChIKeyQCXKORAMPHJNEU-VOTSOKGWSA-N
MW127.21 g/mol
LogP2.19
Rot. Bonds5

About CID 57482386

CID 57482386 (PubChem CID 57482386) has the molecular formula C8H15O and a molecular weight of 127.21 g/mol.

Molecular Properties

Compound NameCID 57482386
PubChem CID57482386
Molecular FormulaC8H15O
Molecular Weight127.21 g/mol
Exact Mass127.11
IUPAC Name—
SMILES[CH2]COC/C=C/CCC
InChIInChI=1S/C8H15O/c1-3-5-6-7-8-9-4-2/h6-7H,2-5,8H2,1H3/b7-6+
InChIKeyQCXKORAMPHJNEU-VOTSOKGWSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(chloromethoxy)hex-2-ene
CID 11499241
(Z)-1-hex-2-enoxydec-2-ene
CID 174457455
(E)-1-methoxyhex-2-ene
CID 5366215
1-hex-2-enoxypropan-2-one
CID 90766135
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
tetrakis(hex-2-enyl) silicate
CID 54207943
1-prop-2-enoxyundec-2-ene
CID 162942387
ethene;(Z)-hept-3-ene
CID 142517945
[(E)-hex-2-enoxy]methanediol
CID 138520161
1-ethoxyhept-3-ene
CID 547708

Frequently Asked Questions

What is the IUPAC name of CID 57482386?
The IUPAC name of CID 57482386 (CID 57482386) is not available.
What is the SMILES notation for CID 57482386?
The canonical SMILES for CID 57482386 is [CH2]COC/C=C/CCC.
What is the InChIKey of CID 57482386?
The InChIKey is QCXKORAMPHJNEU-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15O/c1-3-5-6-7-8-9-4-2/h6-7H,2-5,8H2,1H3/b7-6+.
What are the key properties of CID 57482386?
CID 57482386 has a molecular weight of 127.21 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57482386 is sourced from PubChem (CID 57482386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).