CID 102052496

C16H17 — CID 102052496

IUPAC—
SMILESCC1=Cc2c(C)c3c(c(C)c2[CH]1)C=C(C)C3
InChIInChI=1S/C16H17/c1-9-5-13-11(3)15-7-10(2)8-16(15)12(4)14(13)6-9/h5-7H,8H2,1-4H3
InChIKeyLGRHPAXTAFDEMG-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.23
Rot. Bonds

About CID 102052496

CID 102052496 (PubChem CID 102052496) has the molecular formula C16H17 and a molecular weight of 209.31 g/mol.

Molecular Properties

Compound NameCID 102052496
PubChem CID102052496
Molecular FormulaC16H17
Molecular Weight209.31 g/mol
Exact Mass209.13
IUPAC Name—
SMILESCC1=Cc2c(C)c3c(c(C)c2[CH]1)C=C(C)C3
InChIInChI=1S/C16H17/c1-9-5-13-11(3)15-7-10(2)8-16(15)12(4)14(13)6-9/h5-7H,8H2,1-4H3
InChIKeyLGRHPAXTAFDEMG-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 102052496?
The IUPAC name of CID 102052496 (CID 102052496) is not available.
What is the SMILES notation for CID 102052496?
The canonical SMILES for CID 102052496 is CC1=Cc2c(C)c3c(c(C)c2[CH]1)C=C(C)C3.
What is the InChIKey of CID 102052496?
The InChIKey is LGRHPAXTAFDEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17/c1-9-5-13-11(3)15-7-10(2)8-16(15)12(4)14(13)6-9/h5-7H,8H2,1-4H3.
What are the key properties of CID 102052496?
CID 102052496 has a molecular weight of 209.31 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102052496 is sourced from PubChem (CID 102052496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).