5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol

C20H32O — CID 91611480

IUPAC5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1C(C)=CC=C2C(C)(C)CCCC21C
InChIInChI=1S/C20H32O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,9-10,16,21H,1,8,11-14H2,2-6H3
InChIKeyXQDZQHHHNWNIAR-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.42
Rot. Bonds4

About 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol

5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol (PubChem CID 91611480) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol
PubChem CID91611480
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1C(C)=CC=C2C(C)(C)CCCC21C
InChIInChI=1S/C20H32O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,9-10,16,21H,1,8,11-14H2,2-6H3
InChIKeyXQDZQHHHNWNIAR-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol?
The IUPAC name of 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol (CID 91611480) is 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol.
What is the SMILES notation for 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol?
The canonical SMILES for 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol is C=CC(C)(O)CCC1C(C)=CC=C2C(C)(C)CCCC21C.
What is the InChIKey of 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol?
The InChIKey is XQDZQHHHNWNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,9-10,16,21H,1,8,11-14H2,2-6H3.
What are the key properties of 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol?
5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol has a molecular weight of 288.48 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5,5,8a-tetramethyl-1,6,7,8-tetrahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol is sourced from PubChem (CID 91611480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).