3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol

C14H22O — CID 54454363

IUPAC3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol
SMILESC=CC(C)=CCC(C(=C)C)C(C)(O)C=C
InChIInChI=1S/C14H22O/c1-7-12(5)9-10-13(11(3)4)14(6,15)8-2/h7-9,13,15H,1-3,10H2,4-6H3
InChIKeyWXDGUFZLJUPGFM-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.64
Rot. Bonds6

About 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol

3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol (PubChem CID 54454363) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol
PubChem CID54454363
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol
SMILESC=CC(C)=CCC(C(=C)C)C(C)(O)C=C
InChIInChI=1S/C14H22O/c1-7-12(5)9-10-13(11(3)4)14(6,15)8-2/h7-9,13,15H,1-3,10H2,4-6H3
InChIKeyWXDGUFZLJUPGFM-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol?
The IUPAC name of 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol (CID 54454363) is 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol.
What is the SMILES notation for 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol?
The canonical SMILES for 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol is C=CC(C)=CCC(C(=C)C)C(C)(O)C=C.
What is the InChIKey of 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol?
The InChIKey is WXDGUFZLJUPGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-7-12(5)9-10-13(11(3)4)14(6,15)8-2/h7-9,13,15H,1-3,10H2,4-6H3.
What are the key properties of 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol?
3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol is sourced from PubChem (CID 54454363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).