CID 10729619

C14H22O4 — CID 10729619

IUPAC—
SMILESC[C@@H]1[C@H]2CC3(OCCO3)[C@H](C)[C@H]2CC12OCCO2
InChIInChI=1S/C14H22O4/c1-9-11-7-14(17-5-6-18-14)10(2)12(11)8-13(9)15-3-4-16-13/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyFANYJTIJRZLDAY-DDHJBXDOSA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds

About CID 10729619

CID 10729619 (PubChem CID 10729619) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol.

Molecular Properties

Compound NameCID 10729619
PubChem CID10729619
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name—
SMILESC[C@@H]1[C@H]2CC3(OCCO3)[C@H](C)[C@H]2CC12OCCO2
InChIInChI=1S/C14H22O4/c1-9-11-7-14(17-5-6-18-14)10(2)12(11)8-13(9)15-3-4-16-13/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeyFANYJTIJRZLDAY-DDHJBXDOSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 10729619?
The IUPAC name of CID 10729619 (CID 10729619) is not available.
What is the SMILES notation for CID 10729619?
The canonical SMILES for CID 10729619 is C[C@@H]1[C@H]2CC3(OCCO3)[C@H](C)[C@H]2CC12OCCO2.
What is the InChIKey of CID 10729619?
The InChIKey is FANYJTIJRZLDAY-DDHJBXDOSA-N. The full InChI is InChI=1S/C14H22O4/c1-9-11-7-14(17-5-6-18-14)10(2)12(11)8-13(9)15-3-4-16-13/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of CID 10729619?
CID 10729619 has a molecular weight of 254.33 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10729619 is sourced from PubChem (CID 10729619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).