5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol

C19H24O — CID 14828167

IUPAC5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol
SMILESCC(C)c1cc2ccc3c(c2cc1O)CCCCCC3
InChIInChI=1S/C19H24O/c1-13(2)17-11-15-10-9-14-7-5-3-4-6-8-16(14)18(15)12-19(17)20/h9-13,20H,3-8H2,1-2H3
InChIKeyLUUNOCYKXHRTTB-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.33
Rot. Bonds1

About 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol

5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol (PubChem CID 14828167) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol.

Molecular Properties

Compound Name5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol
PubChem CID14828167
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol
SMILESCC(C)c1cc2ccc3c(c2cc1O)CCCCCC3
InChIInChI=1S/C19H24O/c1-13(2)17-11-15-10-9-14-7-5-3-4-6-8-16(14)18(15)12-19(17)20/h9-13,20H,3-8H2,1-2H3
InChIKeyLUUNOCYKXHRTTB-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol?
The IUPAC name of 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol (CID 14828167) is 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol.
What is the SMILES notation for 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol?
The canonical SMILES for 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol is CC(C)c1cc2ccc3c(c2cc1O)CCCCCC3.
What is the InChIKey of 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol?
The InChIKey is LUUNOCYKXHRTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-13(2)17-11-15-10-9-14-7-5-3-4-6-8-16(14)18(15)12-19(17)20/h9-13,20H,3-8H2,1-2H3.
What are the key properties of 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol?
5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol has a molecular weight of 268.40 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yltricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaen-4-ol is sourced from PubChem (CID 14828167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).