2,2-dimethyl-5-methylideneoct-7-en-3-ol

C11H20O — CID 21155950

IUPAC2,2-dimethyl-5-methylideneoct-7-en-3-ol
SMILESC=CCC(=C)CC(O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-7-9(2)8-10(12)11(3,4)5/h6,10,12H,1-2,7-8H2,3-5H3
InChIKeyDKRSOEZYLGQVDF-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds4

About 2,2-dimethyl-5-methylideneoct-7-en-3-ol

2,2-dimethyl-5-methylideneoct-7-en-3-ol (PubChem CID 21155950) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylideneoct-7-en-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-methylideneoct-7-en-3-ol
PubChem CID21155950
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2-dimethyl-5-methylideneoct-7-en-3-ol
SMILESC=CCC(=C)CC(O)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-7-9(2)8-10(12)11(3,4)5/h6,10,12H,1-2,7-8H2,3-5H3
InChIKeyDKRSOEZYLGQVDF-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
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 2,2-dimethyl-5-methylideneoct-7-en-3-ol?
The IUPAC name of 2,2-dimethyl-5-methylideneoct-7-en-3-ol (CID 21155950) is 2,2-dimethyl-5-methylideneoct-7-en-3-ol.
What is the SMILES notation for 2,2-dimethyl-5-methylideneoct-7-en-3-ol?
The canonical SMILES for 2,2-dimethyl-5-methylideneoct-7-en-3-ol is C=CCC(=C)CC(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-5-methylideneoct-7-en-3-ol?
The InChIKey is DKRSOEZYLGQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-7-9(2)8-10(12)11(3,4)5/h6,10,12H,1-2,7-8H2,3-5H3.
What are the key properties of 2,2-dimethyl-5-methylideneoct-7-en-3-ol?
2,2-dimethyl-5-methylideneoct-7-en-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylideneoct-7-en-3-ol is sourced from PubChem (CID 21155950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).