CID 177095307

C22H34O — CID 177095307

IUPAC—
SMILESCC1C2CC(C1C)C1(CCCC3(CC4CC3C(C)C4C)C1=O)C2
InChIInChI=1S/C22H34O/c1-12-14(3)18-8-16(12)10-21(18)6-5-7-22(20(21)23)11-17-9-19(22)15(4)13(17)2/h12-19H,5-11H2,1-4H3
InChIKeyLPFNRJHSQXISCH-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.34
Rot. Bonds

About CID 177095307

CID 177095307 (PubChem CID 177095307) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol.

Molecular Properties

Compound NameCID 177095307
PubChem CID177095307
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name—
SMILESCC1C2CC(C1C)C1(CCCC3(CC4CC3C(C)C4C)C1=O)C2
InChIInChI=1S/C22H34O/c1-12-14(3)18-8-16(12)10-21(18)6-5-7-22(20(21)23)11-17-9-19(22)15(4)13(17)2/h12-19H,5-11H2,1-4H3
InChIKeyLPFNRJHSQXISCH-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 177095307?
The IUPAC name of CID 177095307 (CID 177095307) is not available.
What is the SMILES notation for CID 177095307?
The canonical SMILES for CID 177095307 is CC1C2CC(C1C)C1(CCCC3(CC4CC3C(C)C4C)C1=O)C2.
What is the InChIKey of CID 177095307?
The InChIKey is LPFNRJHSQXISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-12-14(3)18-8-16(12)10-21(18)6-5-7-22(20(21)23)11-17-9-19(22)15(4)13(17)2/h12-19H,5-11H2,1-4H3.
What are the key properties of CID 177095307?
CID 177095307 has a molecular weight of 314.51 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177095307 is sourced from PubChem (CID 177095307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).