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

C15H26O4 — CID 44583979

IUPAC(1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol
SMILESC=C1C[C@@H](O)[C@H](O)/C(C)=C\C[C@@H](C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O4/c1-8(2)11-6-5-9(3)13(17)12(16)7-10(4)14(18)15(11)19/h5,8,11-19H,4,6-7H2,1-3H3/b9-5-/t11-,12+,13+,14+,15+/m0/s1
InChIKeyPTFYPQCJYOKIDY-BUMDVPOKSA-N
MW270.37 g/mol
LogP1.00
Rot. Bonds1

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

(1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol (PubChem CID 44583979) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol.

Molecular Properties

Compound Name(1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol
PubChem CID44583979
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol
SMILESC=C1C[C@@H](O)[C@H](O)/C(C)=C\C[C@@H](C(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O4/c1-8(2)11-6-5-9(3)13(17)12(16)7-10(4)14(18)15(11)19/h5,8,11-19H,4,6-7H2,1-3H3/b9-5-/t11-,12+,13+,14+,15+/m0/s1
InChIKeyPTFYPQCJYOKIDY-BUMDVPOKSA-N
XLogP1.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.00
H-Bond Donors ≤ 54
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 (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol?
The IUPAC name of (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol (CID 44583979) is (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol.
What is the SMILES notation for (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol?
The canonical SMILES for (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol is C=C1C[C@@H](O)[C@H](O)/C(C)=C\C[C@@H](C(C)C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol?
The InChIKey is PTFYPQCJYOKIDY-BUMDVPOKSA-N. The full InChI is InChI=1S/C15H26O4/c1-8(2)11-6-5-9(3)13(17)12(16)7-10(4)14(18)15(11)19/h5,8,11-19H,4,6-7H2,1-3H3/b9-5-/t11-,12+,13+,14+,15+/m0/s1.
What are the key properties of (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol?
(1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol has a molecular weight of 270.37 g/mol, XLogP of 1.00, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol is sourced from PubChem (CID 44583979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).