1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol

C14H26O3 — CID 139646552

IUPAC1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol
SMILESC=C(C)CCC(O)COCC(O)CCC(=C)C
InChIInChI=1S/C14H26O3/c1-11(2)5-7-13(15)9-17-10-14(16)8-6-12(3)4/h13-16H,1,3,5-10H2,2,4H3
InChIKeyCDNBHWZLDLMPPI-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.44
Rot. Bonds10

About 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol

1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol (PubChem CID 139646552) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol
PubChem CID139646552
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol
SMILESC=C(C)CCC(O)COCC(O)CCC(=C)C
InChIInChI=1S/C14H26O3/c1-11(2)5-7-13(15)9-17-10-14(16)8-6-12(3)4/h13-16H,1,3,5-10H2,2,4H3
InChIKeyCDNBHWZLDLMPPI-UHFFFAOYSA-N
XLogP2.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol?
The IUPAC name of 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol (CID 139646552) is 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol?
The canonical SMILES for 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol is C=C(C)CCC(O)COCC(O)CCC(=C)C.
What is the InChIKey of 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol?
The InChIKey is CDNBHWZLDLMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(2)5-7-13(15)9-17-10-14(16)8-6-12(3)4/h13-16H,1,3,5-10H2,2,4H3.
What are the key properties of 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol?
1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol has a molecular weight of 242.36 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylhex-5-enoxy)-5-methylhex-5-en-2-ol is sourced from PubChem (CID 139646552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).