5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol

C16H26O — CID 87089177

IUPAC5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol
SMILESC=CCC(CO)C(=C)CC(C)(CC=C)CC=C
InChIInChI=1S/C16H26O/c1-6-9-15(13-17)14(4)12-16(5,10-7-2)11-8-3/h6-8,15,17H,1-4,9-13H2,5H3
InChIKeyAMDGKMCQXUEXGX-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.28
Rot. Bonds10

About 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol

5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol (PubChem CID 87089177) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol.

Molecular Properties

Compound Name5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol
PubChem CID87089177
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol
SMILESC=CCC(CO)C(=C)CC(C)(CC=C)CC=C
InChIInChI=1S/C16H26O/c1-6-9-15(13-17)14(4)12-16(5,10-7-2)11-8-3/h6-8,15,17H,1-4,9-13H2,5H3
InChIKeyAMDGKMCQXUEXGX-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.28
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 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol?
The IUPAC name of 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol (CID 87089177) is 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol.
What is the SMILES notation for 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol?
The canonical SMILES for 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol is C=CCC(CO)C(=C)CC(C)(CC=C)CC=C.
What is the InChIKey of 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol?
The InChIKey is AMDGKMCQXUEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-9-15(13-17)14(4)12-16(5,10-7-2)11-8-3/h6-8,15,17H,1-4,9-13H2,5H3.
What are the key properties of 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol?
5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylidene-2,5-bis(prop-2-enyl)oct-7-en-1-ol is sourced from PubChem (CID 87089177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).