CID 10950068

C16H23O — CID 10950068

IUPAC—
SMILESC=CCCCCCCCCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H23O/c1-2-3-4-5-6-7-8-9-14-16(17)15-12-10-11-13-15/h2,10-13H,1,3-9,14H2
InChIKeyPRNFWONAWUMNDG-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.27
Rot. Bonds10

About CID 10950068

CID 10950068 (PubChem CID 10950068) has the molecular formula C16H23O and a molecular weight of 231.36 g/mol.

Molecular Properties

Compound NameCID 10950068
PubChem CID10950068
Molecular FormulaC16H23O
Molecular Weight231.36 g/mol
Exact Mass231.17
IUPAC Name—
SMILESC=CCCCCCCCCC(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H23O/c1-2-3-4-5-6-7-8-9-14-16(17)15-12-10-11-13-15/h2,10-13H,1,3-9,14H2
InChIKeyPRNFWONAWUMNDG-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.27
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

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CID 107011112
1-(5-iodothiophen-3-yl)oct-7-en-1-one
CID 107011173
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enamide
CID 166991988
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Frequently Asked Questions

What is the IUPAC name of CID 10950068?
The IUPAC name of CID 10950068 (CID 10950068) is not available.
What is the SMILES notation for CID 10950068?
The canonical SMILES for CID 10950068 is C=CCCCCCCCCC(=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 10950068?
The InChIKey is PRNFWONAWUMNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O/c1-2-3-4-5-6-7-8-9-14-16(17)15-12-10-11-13-15/h2,10-13H,1,3-9,14H2.
What are the key properties of CID 10950068?
CID 10950068 has a molecular weight of 231.36 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10950068 is sourced from PubChem (CID 10950068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).