CID 144774623

C16H24O2 — CID 144774623

IUPAC—
SMILESO=C(O)CC1CCC2(CC2)C2CCC3(CC3)C2C1
InChIInChI=1S/C16H24O2/c17-14(18)10-11-1-3-15(5-6-15)12-2-4-16(7-8-16)13(12)9-11/h11-13H,1-10H2,(H,17,18)
InChIKeyIGRQKUNRPIYTBH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.85
Rot. Bonds2

About CID 144774623

CID 144774623 (PubChem CID 144774623) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol.

Molecular Properties

Compound NameCID 144774623
PubChem CID144774623
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name—
SMILESO=C(O)CC1CCC2(CC2)C2CCC3(CC3)C2C1
InChIInChI=1S/C16H24O2/c17-14(18)10-11-1-3-15(5-6-15)12-2-4-16(7-8-16)13(12)9-11/h11-13H,1-10H2,(H,17,18)
InChIKeyIGRQKUNRPIYTBH-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 144774623?
The IUPAC name of CID 144774623 (CID 144774623) is not available.
What is the SMILES notation for CID 144774623?
The canonical SMILES for CID 144774623 is O=C(O)CC1CCC2(CC2)C2CCC3(CC3)C2C1.
What is the InChIKey of CID 144774623?
The InChIKey is IGRQKUNRPIYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-14(18)10-11-1-3-15(5-6-15)12-2-4-16(7-8-16)13(12)9-11/h11-13H,1-10H2,(H,17,18).
What are the key properties of CID 144774623?
CID 144774623 has a molecular weight of 248.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144774623 is sourced from PubChem (CID 144774623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).