(1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol

C15H26O3 — CID 44583969

IUPAC(1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol
SMILESC=C1C[C@@H](O)C=C(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O3/c1-9(2)13-6-5-10(3)7-12(16)8-11(4)14(17)15(13)18/h7,9,12-18H,4-6,8H2,1-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyPTRFJTHADLODLE-BYNSBNAKSA-N
MW254.37 g/mol
LogP2.03
Rot. Bonds1

About (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol

(1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol (PubChem CID 44583969) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol.

Molecular Properties

Compound Name(1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol
PubChem CID44583969
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol
SMILESC=C1C[C@@H](O)C=C(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O3/c1-9(2)13-6-5-10(3)7-12(16)8-11(4)14(17)15(13)18/h7,9,12-18H,4-6,8H2,1-3H3/t12-,13-,14+,15+/m0/s1
InChIKeyPTRFJTHADLODLE-BYNSBNAKSA-N
XLogP2.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol?
The IUPAC name of (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol (CID 44583969) is (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol.
What is the SMILES notation for (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol?
The canonical SMILES for (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol is C=C1C[C@@H](O)C=C(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol?
The InChIKey is PTRFJTHADLODLE-BYNSBNAKSA-N. The full InChI is InChI=1S/C15H26O3/c1-9(2)13-6-5-10(3)7-12(16)8-11(4)14(17)15(13)18/h7,9,12-18H,4-6,8H2,1-3H3/t12-,13-,14+,15+/m0/s1.
What are the key properties of (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol?
(1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol has a molecular weight of 254.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,2,5-triol is sourced from PubChem (CID 44583969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).