(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol

C16H26O — CID 100952257

IUPAC(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol
SMILESC=CC/C(=C/CCC(=C)C)CC/C=C(\C)CO
InChIInChI=1S/C16H26O/c1-5-8-16(11-6-9-14(2)3)12-7-10-15(4)13-17/h5,10-11,17H,1-2,6-9,12-13H2,3-4H3/b15-10+,16-11-
InChIKeyOGRLNHZPLQDJRQ-AXOLISODSA-N
MW234.38 g/mol
LogP4.56
Rot. Bonds9

About (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol

(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol (PubChem CID 100952257) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol
PubChem CID100952257
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol
SMILESC=CC/C(=C/CCC(=C)C)CC/C=C(\C)CO
InChIInChI=1S/C16H26O/c1-5-8-16(11-6-9-14(2)3)12-7-10-15(4)13-17/h5,10-11,17H,1-2,6-9,12-13H2,3-4H3/b15-10+,16-11-
InChIKeyOGRLNHZPLQDJRQ-AXOLISODSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol?
The IUPAC name of (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol (CID 100952257) is (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol.
What is the SMILES notation for (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol?
The canonical SMILES for (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol is C=CC/C(=C/CCC(=C)C)CC/C=C(\C)CO.
What is the InChIKey of (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol?
The InChIKey is OGRLNHZPLQDJRQ-AXOLISODSA-N. The full InChI is InChI=1S/C16H26O/c1-5-8-16(11-6-9-14(2)3)12-7-10-15(4)13-17/h5,10-11,17H,1-2,6-9,12-13H2,3-4H3/b15-10+,16-11-.
What are the key properties of (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol?
(2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,10-dimethyl-6-prop-2-enylundeca-2,6,10-trien-1-ol is sourced from PubChem (CID 100952257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).