2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol

C11H22O — CID 87088406

IUPAC2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol
SMILESC=C(CC(C)(C)C)C(CC)CO
InChIInChI=1S/C11H22O/c1-6-10(8-12)9(2)7-11(3,4)5/h10,12H,2,6-8H2,1,3-5H3
InChIKeyBHEMTMJTISAFFL-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.00
Rot. Bonds4

About 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol

2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol (PubChem CID 87088406) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol
PubChem CID87088406
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol
SMILESC=C(CC(C)(C)C)C(CC)CO
InChIInChI=1S/C11H22O/c1-6-10(8-12)9(2)7-11(3,4)5/h10,12H,2,6-8H2,1,3-5H3
InChIKeyBHEMTMJTISAFFL-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.00
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-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol?
The IUPAC name of 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol (CID 87088406) is 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol?
The canonical SMILES for 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol is C=C(CC(C)(C)C)C(CC)CO.
What is the InChIKey of 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol?
The InChIKey is BHEMTMJTISAFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-10(8-12)9(2)7-11(3,4)5/h10,12H,2,6-8H2,1,3-5H3.
What are the key properties of 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol?
2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-3-methylidenehexan-1-ol is sourced from PubChem (CID 87088406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).