6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol

C11H22O2 — CID 88567130

IUPAC6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol
SMILESC=C(C(C)COC)C(O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(7-13-6)9(2)10(12)11(3,4)5/h8,10,12H,2,7H2,1,3-6H3
InChIKeyUQAMNWARQDQWKZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.23
Rot. Bonds4

About 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol

6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol (PubChem CID 88567130) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol.

Molecular Properties

Compound Name6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol
PubChem CID88567130
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol
SMILESC=C(C(C)COC)C(O)C(C)(C)C
InChIInChI=1S/C11H22O2/c1-8(7-13-6)9(2)10(12)11(3,4)5/h8,10,12H,2,7H2,1,3-6H3
InChIKeyUQAMNWARQDQWKZ-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol?
The IUPAC name of 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol (CID 88567130) is 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol.
What is the SMILES notation for 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol?
The canonical SMILES for 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol is C=C(C(C)COC)C(O)C(C)(C)C.
What is the InChIKey of 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol?
The InChIKey is UQAMNWARQDQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8(7-13-6)9(2)10(12)11(3,4)5/h8,10,12H,2,7H2,1,3-6H3.
What are the key properties of 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol?
6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol has a molecular weight of 186.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2,5-trimethyl-4-methylidenehexan-3-ol is sourced from PubChem (CID 88567130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).