CID 100959876

C14H21O2 — CID 100959876

IUPAC—
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(O)c1[O]
InChIInChI=1S/C14H21O2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-8,15H,1-6H3
InChIKeySNIFSIVMPMIWEM-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.13
Rot. Bonds

About CID 100959876

CID 100959876 (PubChem CID 100959876) has the molecular formula C14H21O2 and a molecular weight of 221.32 g/mol.

Molecular Properties

Compound NameCID 100959876
PubChem CID100959876
Molecular FormulaC14H21O2
Molecular Weight221.32 g/mol
Exact Mass221.15
IUPAC Name—
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(O)c1[O]
InChIInChI=1S/C14H21O2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-8,15H,1-6H3
InChIKeySNIFSIVMPMIWEM-UHFFFAOYSA-N
XLogP4.13
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 100959876?
The IUPAC name of CID 100959876 (CID 100959876) is not available.
What is the SMILES notation for CID 100959876?
The canonical SMILES for CID 100959876 is CC(C)(C)c1ccc(C(C)(C)C)c(O)c1[O].
What is the InChIKey of CID 100959876?
The InChIKey is SNIFSIVMPMIWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-8,15H,1-6H3.
What are the key properties of CID 100959876?
CID 100959876 has a molecular weight of 221.32 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100959876 is sourced from PubChem (CID 100959876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).