CID 85375488

C13H19 — CID 85375488

IUPAC—
SMILESC[CH][CH][CH][C]1[CH]CC2CC1C2(C)C
InChIInChI=1S/C13H19/c1-4-5-6-10-7-8-11-9-12(10)13(11,2)3/h4-7,11-12H,8-9H2,1-3H3
InChIKeyWTKUBGSALWIELL-UHFFFAOYSA-N
MW175.30 g/mol
LogP3.46
Rot. Bonds3

About CID 85375488

CID 85375488 (PubChem CID 85375488) has the molecular formula C13H19 and a molecular weight of 175.30 g/mol.

Molecular Properties

Compound NameCID 85375488
PubChem CID85375488
Molecular FormulaC13H19
Molecular Weight175.30 g/mol
Exact Mass175.15
IUPAC Name—
SMILESC[CH][CH][CH][C]1[CH]CC2CC1C2(C)C
InChIInChI=1S/C13H19/c1-4-5-6-10-7-8-11-9-12(10)13(11,2)3/h4-7,11-12H,8-9H2,1-3H3
InChIKeyWTKUBGSALWIELL-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 85375488?
The IUPAC name of CID 85375488 (CID 85375488) is not available.
What is the SMILES notation for CID 85375488?
The canonical SMILES for CID 85375488 is C[CH][CH][CH][C]1[CH]CC2CC1C2(C)C.
What is the InChIKey of CID 85375488?
The InChIKey is WTKUBGSALWIELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19/c1-4-5-6-10-7-8-11-9-12(10)13(11,2)3/h4-7,11-12H,8-9H2,1-3H3.
What are the key properties of CID 85375488?
CID 85375488 has a molecular weight of 175.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 85375488 is sourced from PubChem (CID 85375488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).