CID 72701754

C20H34O3 — CID 72701754

IUPAC—
SMILESC[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2
InChIInChI=1S/C20H34O3/c1-14-6-7-15-17(2,3)8-5-9-18(15,4)20(14)11-10-19(23-20)12-16(21)22-13-19/h14-16,21H,5-13H2,1-4H3/t14-,15+,16+,18+,19+,20-/m1/s1
InChIKeyVOHURPICLQUNQE-XSBFNCLBSA-N
MW322.49 g/mol
LogP4.28
Rot. Bonds

About CID 72701754

CID 72701754 (PubChem CID 72701754) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol.

Molecular Properties

Compound NameCID 72701754
PubChem CID72701754
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name—
SMILESC[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2
InChIInChI=1S/C20H34O3/c1-14-6-7-15-17(2,3)8-5-9-18(15,4)20(14)11-10-19(23-20)12-16(21)22-13-19/h14-16,21H,5-13H2,1-4H3/t14-,15+,16+,18+,19+,20-/m1/s1
InChIKeyVOHURPICLQUNQE-XSBFNCLBSA-N
XLogP4.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 72701754?
The IUPAC name of CID 72701754 (CID 72701754) is not available.
What is the SMILES notation for CID 72701754?
The canonical SMILES for CID 72701754 is C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2.
What is the InChIKey of CID 72701754?
The InChIKey is VOHURPICLQUNQE-XSBFNCLBSA-N. The full InChI is InChI=1S/C20H34O3/c1-14-6-7-15-17(2,3)8-5-9-18(15,4)20(14)11-10-19(23-20)12-16(21)22-13-19/h14-16,21H,5-13H2,1-4H3/t14-,15+,16+,18+,19+,20-/m1/s1.
What are the key properties of CID 72701754?
CID 72701754 has a molecular weight of 322.49 g/mol, XLogP of 4.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72701754 is sourced from PubChem (CID 72701754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).