(2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol

C15H26O3 — CID 24976274

IUPAC(2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol
SMILESC=C(C)C(O)CCC(=C)C(O)CC/C(C)=C/CO
InChIInChI=1S/C15H26O3/c1-11(2)14(17)8-6-13(4)15(18)7-5-12(3)9-10-16/h9,14-18H,1,4-8,10H2,2-3H3/b12-9+
InChIKeyFDZOHVFYVCXZNK-FMIVXFBMSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds9

About (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol

(2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol (PubChem CID 24976274) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol.

Molecular Properties

Compound Name(2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol
PubChem CID24976274
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol
SMILESC=C(C)C(O)CCC(=C)C(O)CC/C(C)=C/CO
InChIInChI=1S/C15H26O3/c1-11(2)14(17)8-6-13(4)15(18)7-5-12(3)9-10-16/h9,14-18H,1,4-8,10H2,2-3H3/b12-9+
InChIKeyFDZOHVFYVCXZNK-FMIVXFBMSA-N
XLogP2.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Boletinin C
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Boletinin D
CID 11416024
boletinin B
CID 11723673
cis-Piperitenol
CID 6429050
Streptenol B
CID 15675440
(E)-octacos-10-ene-1,12-diol
CID 131752969
(E)-2-Nonene-1,4-diol
CID 14106146
1,4-Dihydroxy-2-nonene
CID 54541195
(1S,5R,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-6-ene-1,5-diol
CID 44583968
8-Hydroxy geraniol
CID 6430784

Frequently Asked Questions

What is the IUPAC name of (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol?
The IUPAC name of (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol (CID 24976274) is (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol.
What is the SMILES notation for (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol?
The canonical SMILES for (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol is C=C(C)C(O)CCC(=C)C(O)CC/C(C)=C/CO.
What is the InChIKey of (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol?
The InChIKey is FDZOHVFYVCXZNK-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(2)14(17)8-6-13(4)15(18)7-5-12(3)9-10-16/h9,14-18H,1,4-8,10H2,2-3H3/b12-9+.
What are the key properties of (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol?
(2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol has a molecular weight of 254.37 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,11-dimethyl-7-methylidenedodeca-2,11-diene-1,6,10-triol is sourced from PubChem (CID 24976274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).