(2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one

C15H24O4 — CID 71578080

IUPAC(2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one
SMILESCC(C)=C1C[C@@H](O)[C@@](C)(O)CC[C@@H](O)/C(C)=C\C1=O
InChIInChI=1S/C15H24O4/c1-9(2)11-8-14(18)15(4,19)6-5-12(16)10(3)7-13(11)17/h7,12,14,16,18-19H,5-6,8H2,1-4H3/b10-7-/t12-,14-,15+/m1/s1
InChIKeyAGMVUQMPIYDZOG-HOHRPOLTSA-N
MW268.35 g/mol
LogP1.49
Rot. Bonds

About (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one

(2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one (PubChem CID 71578080) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one.

Molecular Properties

Compound Name(2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one
PubChem CID71578080
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one
SMILESCC(C)=C1C[C@@H](O)[C@@](C)(O)CC[C@@H](O)/C(C)=C\C1=O
InChIInChI=1S/C15H24O4/c1-9(2)11-8-14(18)15(4,19)6-5-12(16)10(3)7-13(11)17/h7,12,14,16,18-19H,5-6,8H2,1-4H3/b10-7-/t12-,14-,15+/m1/s1
InChIKeyAGMVUQMPIYDZOG-HOHRPOLTSA-N
XLogP1.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one?
The IUPAC name of (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one (CID 71578080) is (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one.
What is the SMILES notation for (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one?
The canonical SMILES for (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one is CC(C)=C1C[C@@H](O)[C@@](C)(O)CC[C@@H](O)/C(C)=C\C1=O.
What is the InChIKey of (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one?
The InChIKey is AGMVUQMPIYDZOG-HOHRPOLTSA-N. The full InChI is InChI=1S/C15H24O4/c1-9(2)11-8-14(18)15(4,19)6-5-12(16)10(3)7-13(11)17/h7,12,14,16,18-19H,5-6,8H2,1-4H3/b10-7-/t12-,14-,15+/m1/s1.
What are the key properties of (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one?
(2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one has a molecular weight of 268.35 g/mol, XLogP of 1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,7S,8R)-4,7,8-trihydroxy-3,7-dimethyl-10-propan-2-ylidenecyclodec-2-en-1-one is sourced from PubChem (CID 71578080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).