2,6-dimethyl-5-methylideneheptan-2-ol

C10H20O — CID 170201148

IUPAC2,6-dimethyl-5-methylideneheptan-2-ol
SMILESC=C(CCC(C)(C)O)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)9(3)6-7-10(4,5)11/h8,11H,3,6-7H2,1-2,4-5H3
InChIKeyWMGZWMYYHUQSDE-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds4

About 2,6-dimethyl-5-methylideneheptan-2-ol

2,6-dimethyl-5-methylideneheptan-2-ol (PubChem CID 170201148) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,6-dimethyl-5-methylideneheptan-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-5-methylideneheptan-2-ol
PubChem CID170201148
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,6-dimethyl-5-methylideneheptan-2-ol
SMILESC=C(CCC(C)(C)O)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)9(3)6-7-10(4,5)11/h8,11H,3,6-7H2,1-2,4-5H3
InChIKeyWMGZWMYYHUQSDE-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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 2,6-dimethyl-5-methylideneheptan-2-ol?
The IUPAC name of 2,6-dimethyl-5-methylideneheptan-2-ol (CID 170201148) is 2,6-dimethyl-5-methylideneheptan-2-ol.
What is the SMILES notation for 2,6-dimethyl-5-methylideneheptan-2-ol?
The canonical SMILES for 2,6-dimethyl-5-methylideneheptan-2-ol is C=C(CCC(C)(C)O)C(C)C.
What is the InChIKey of 2,6-dimethyl-5-methylideneheptan-2-ol?
The InChIKey is WMGZWMYYHUQSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)9(3)6-7-10(4,5)11/h8,11H,3,6-7H2,1-2,4-5H3.
What are the key properties of 2,6-dimethyl-5-methylideneheptan-2-ol?
2,6-dimethyl-5-methylideneheptan-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-methylideneheptan-2-ol is sourced from PubChem (CID 170201148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).