(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol

C15H24O2 — CID 102066424

IUPAC(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
SMILESC=C(C)[C@@H]1CC/C(C)=C\C[C@@H](O)C(=C)[C@@H](O)C1
InChIInChI=1S/C15H24O2/c1-10(2)13-7-5-11(3)6-8-14(16)12(4)15(17)9-13/h6,13-17H,1,4-5,7-9H2,2-3H3/b11-6-/t13-,14-,15+/m1/s1
InChIKeyLEEGKLLLSOAIHN-VHBHCPIMSA-N
MW236.35 g/mol
LogP2.98
Rot. Bonds1

About (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol

(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol (PubChem CID 102066424) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol.

Molecular Properties

Compound Name(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
PubChem CID102066424
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol
SMILESC=C(C)[C@@H]1CC/C(C)=C\C[C@@H](O)C(=C)[C@@H](O)C1
InChIInChI=1S/C15H24O2/c1-10(2)13-7-5-11(3)6-8-14(16)12(4)15(17)9-13/h6,13-17H,1,4-5,7-9H2,2-3H3/b11-6-/t13-,14-,15+/m1/s1
InChIKeyLEEGKLLLSOAIHN-VHBHCPIMSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol?
The IUPAC name of (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol (CID 102066424) is (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol.
What is the SMILES notation for (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol?
The canonical SMILES for (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol is C=C(C)[C@@H]1CC/C(C)=C\C[C@@H](O)C(=C)[C@@H](O)C1.
What is the InChIKey of (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol?
The InChIKey is LEEGKLLLSOAIHN-VHBHCPIMSA-N. The full InChI is InChI=1S/C15H24O2/c1-10(2)13-7-5-11(3)6-8-14(16)12(4)15(17)9-13/h6,13-17H,1,4-5,7-9H2,2-3H3/b11-6-/t13-,14-,15+/m1/s1.
What are the key properties of (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol?
(1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol has a molecular weight of 236.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5Z,9R)-6-methyl-2-methylidene-9-prop-1-en-2-ylcyclodec-5-ene-1,3-diol is sourced from PubChem (CID 102066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).