2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol

C19H30O2 — CID 23513105

IUPAC2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol
SMILESCC(C)=CCCC1(C)CCC2C(=C(C)C(C)=CC2(C)O)O1
InChIInChI=1S/C19H30O2/c1-13(2)8-7-10-18(5)11-9-16-17(21-18)15(4)14(3)12-19(16,6)20/h8,12,16,20H,7,9-11H2,1-6H3
InChIKeyVRMPKVZVNCRAPM-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.90
Rot. Bonds3

About 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol

2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol (PubChem CID 23513105) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol
PubChem CID23513105
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol
SMILESCC(C)=CCCC1(C)CCC2C(=C(C)C(C)=CC2(C)O)O1
InChIInChI=1S/C19H30O2/c1-13(2)8-7-10-18(5)11-9-16-17(21-18)15(4)14(3)12-19(16,6)20/h8,12,16,20H,7,9-11H2,1-6H3
InChIKeyVRMPKVZVNCRAPM-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.90
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 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol (CID 23513105) is 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol is CC(C)=CCCC1(C)CCC2C(=C(C)C(C)=CC2(C)O)O1.
What is the InChIKey of 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol?
The InChIKey is VRMPKVZVNCRAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-13(2)8-7-10-18(5)11-9-16-17(21-18)15(4)14(3)12-19(16,6)20/h8,12,16,20H,7,9-11H2,1-6H3.
What are the key properties of 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol?
2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol has a molecular weight of 290.45 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-(4-methylpent-3-enyl)-4,4a-dihydro-3H-chromen-5-ol is sourced from PubChem (CID 23513105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).