CID 58843291

C14H21 — CID 58843291

IUPAC—
SMILES[CH2]CC(CCCCC)c1ccccc1
InChIInChI=1S/C14H21/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h6,8-9,11-13H,2-5,7,10H2,1H3
InChIKeyLHHDZFWMHRECTI-UHFFFAOYSA-N
MW189.32 g/mol
LogP4.57
Rot. Bonds6

About CID 58843291

CID 58843291 (PubChem CID 58843291) has the molecular formula C14H21 and a molecular weight of 189.32 g/mol.

Molecular Properties

Compound NameCID 58843291
PubChem CID58843291
Molecular FormulaC14H21
Molecular Weight189.32 g/mol
Exact Mass189.16
IUPAC Name—
SMILES[CH2]CC(CCCCC)c1ccccc1
InChIInChI=1S/C14H21/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h6,8-9,11-13H,2-5,7,10H2,1H3
InChIKeyLHHDZFWMHRECTI-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of CID 58843291?
The IUPAC name of CID 58843291 (CID 58843291) is not available.
What is the SMILES notation for CID 58843291?
The canonical SMILES for CID 58843291 is [CH2]CC(CCCCC)c1ccccc1.
What is the InChIKey of CID 58843291?
The InChIKey is LHHDZFWMHRECTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h6,8-9,11-13H,2-5,7,10H2,1H3.
What are the key properties of CID 58843291?
CID 58843291 has a molecular weight of 189.32 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58843291 is sourced from PubChem (CID 58843291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).