CID 12960466

C13H27 — CID 12960466

IUPAC—
SMILES[CH2]CCCCCCCCCCCC
InChIInChI=1S/C13H27/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,3-13H2,2H3
InChIKeyJUXBSDKPHHAKTB-UHFFFAOYSA-N
MW183.36 g/mol
LogP5.13
Rot. Bonds10

About CID 12960466

CID 12960466 (PubChem CID 12960466) has the molecular formula C13H27 and a molecular weight of 183.36 g/mol.

Molecular Properties

Compound NameCID 12960466
PubChem CID12960466
Molecular FormulaC13H27
Molecular Weight183.36 g/mol
Exact Mass183.21
IUPAC Name—
SMILES[CH2]CCCCCCCCCCCC
InChIInChI=1S/C13H27/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,3-13H2,2H3
InChIKeyJUXBSDKPHHAKTB-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500183.36
LogP ≤ 55.13
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

CID 5483478
CID 5483478
CID 5484956
CID 5484956
CID 170852910
CID 170852910
CID 101153421
CID 101153421
CID 101124027
CID 101124027
ethene;undecane
CID 161157037
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of CID 12960466?
The IUPAC name of CID 12960466 (CID 12960466) is not available.
What is the SMILES notation for CID 12960466?
The canonical SMILES for CID 12960466 is [CH2]CCCCCCCCCCCC.
What is the InChIKey of CID 12960466?
The InChIKey is JUXBSDKPHHAKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,3-13H2,2H3.
What are the key properties of CID 12960466?
CID 12960466 has a molecular weight of 183.36 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12960466 is sourced from PubChem (CID 12960466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).