6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one

C14H24O3 — CID 163109443

IUPAC6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one
SMILESC=C1CCC(C(C)C)C(=O)CC(O)CCC1O
InChIInChI=1S/C14H24O3/c1-9(2)12-6-4-10(3)13(16)7-5-11(15)8-14(12)17/h9,11-13,15-16H,3-8H2,1-2H3
InChIKeyHSTUJTMDFYTISV-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.07
Rot. Bonds1

About 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one

6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one (PubChem CID 163109443) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one.

Molecular Properties

Compound Name6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one
PubChem CID163109443
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one
SMILESC=C1CCC(C(C)C)C(=O)CC(O)CCC1O
InChIInChI=1S/C14H24O3/c1-9(2)12-6-4-10(3)13(16)7-5-11(15)8-14(12)17/h9,11-13,15-16H,3-8H2,1-2H3
InChIKeyHSTUJTMDFYTISV-UHFFFAOYSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one?
The IUPAC name of 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one (CID 163109443) is 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one.
What is the SMILES notation for 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one?
The canonical SMILES for 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one is C=C1CCC(C(C)C)C(=O)CC(O)CCC1O.
What is the InChIKey of 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one?
The InChIKey is HSTUJTMDFYTISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-9(2)12-6-4-10(3)13(16)7-5-11(15)8-14(12)17/h9,11-13,15-16H,3-8H2,1-2H3.
What are the key properties of 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one?
6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one has a molecular weight of 240.34 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dihydroxy-5-methylidene-2-propan-2-ylcyclodecan-1-one is sourced from PubChem (CID 163109443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).