2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol

C19H30O2 — CID 129118926

IUPAC2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol
SMILESC=C(C)c1ccc(C(CC)(CC)OC(C)C(C)(C)O)cc1
InChIInChI=1S/C19H30O2/c1-8-19(9-2,21-15(5)18(6,7)20)17-12-10-16(11-13-17)14(3)4/h10-13,15,20H,3,8-9H2,1-2,4-7H3
InChIKeyIIBALCYCZKYCEM-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.91
Rot. Bonds7

About 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol

2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol (PubChem CID 129118926) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol
PubChem CID129118926
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol
SMILESC=C(C)c1ccc(C(CC)(CC)OC(C)C(C)(C)O)cc1
InChIInChI=1S/C19H30O2/c1-8-19(9-2,21-15(5)18(6,7)20)17-12-10-16(11-13-17)14(3)4/h10-13,15,20H,3,8-9H2,1-2,4-7H3
InChIKeyIIBALCYCZKYCEM-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol?
The IUPAC name of 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol (CID 129118926) is 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol?
The canonical SMILES for 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol is C=C(C)c1ccc(C(CC)(CC)OC(C)C(C)(C)O)cc1.
What is the InChIKey of 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol?
The InChIKey is IIBALCYCZKYCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-8-19(9-2,21-15(5)18(6,7)20)17-12-10-16(11-13-17)14(3)4/h10-13,15,20H,3,8-9H2,1-2,4-7H3.
What are the key properties of 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol?
2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(4-prop-1-en-2-ylphenyl)pentan-3-yloxy]butan-2-ol is sourced from PubChem (CID 129118926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).