CID 58700882

C24H30O4 — CID 58700882

IUPAC—
SMILESC[C@]12CCC3(C=C1C=C[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1)OCCO3
InChIInChI=1S/C24H30O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3-5,15,17,19H,6-14H2,1-2H3/t17-,19+,21+,22+,23-/m1/s1
InChIKeyVNCMDWYGMAMONP-AYJKSNPGSA-N
MW382.50 g/mol
LogP4.46
Rot. Bonds

About CID 58700882

CID 58700882 (PubChem CID 58700882) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol.

Molecular Properties

Compound NameCID 58700882
PubChem CID58700882
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name—
SMILESC[C@]12CCC3(C=C1C=C[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1)OCCO3
InChIInChI=1S/C24H30O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3-5,15,17,19H,6-14H2,1-2H3/t17-,19+,21+,22+,23-/m1/s1
InChIKeyVNCMDWYGMAMONP-AYJKSNPGSA-N
XLogP4.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58700882?
The IUPAC name of CID 58700882 (CID 58700882) is not available.
What is the SMILES notation for CID 58700882?
The canonical SMILES for CID 58700882 is C[C@]12CCC3(C=C1C=C[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1)OCCO3.
What is the InChIKey of CID 58700882?
The InChIKey is VNCMDWYGMAMONP-AYJKSNPGSA-N. The full InChI is InChI=1S/C24H30O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3-5,15,17,19H,6-14H2,1-2H3/t17-,19+,21+,22+,23-/m1/s1.
What are the key properties of CID 58700882?
CID 58700882 has a molecular weight of 382.50 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58700882 is sourced from PubChem (CID 58700882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).