1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol

C18H32O — CID 139890478

IUPAC1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CC(C(C)C)C(O)(C(C)C)C=C1C(C)C
InChIInChI=1S/C18H32O/c1-11(2)15-9-17(13(5)6)18(19,14(7)8)10-16(15)12(3)4/h9-14,17,19H,1-8H3
InChIKeyCHUMTZNLMYDXOZ-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.82
Rot. Bonds4

About 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol

1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 139890478) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID139890478
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CC(C(C)C)C(O)(C(C)C)C=C1C(C)C
InChIInChI=1S/C18H32O/c1-11(2)15-9-17(13(5)6)18(19,14(7)8)10-16(15)12(3)4/h9-14,17,19H,1-8H3
InChIKeyCHUMTZNLMYDXOZ-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol (CID 139890478) is 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol is CC(C)C1=CC(C(C)C)C(O)(C(C)C)C=C1C(C)C.
What is the InChIKey of 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is CHUMTZNLMYDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-11(2)15-9-17(13(5)6)18(19,14(7)8)10-16(15)12(3)4/h9-14,17,19H,1-8H3.
What are the key properties of 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol?
1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 264.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetra(propan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139890478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).