5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]

C20H34O — CID 597151

IUPAC5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]
SMILESCCC1(C)CCC2(O1)C(C)=CCC1C(C)(C)CCCC12C
InChIInChI=1S/C20H34O/c1-7-18(5)13-14-20(21-18)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h9,16H,7-8,10-14H2,1-6H3
InChIKeyOVXBXSBTXMSYKL-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.89
Rot. Bonds1

About 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]

5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane] (PubChem CID 597151) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane].

Molecular Properties

Compound Name5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]
PubChem CID597151
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]
SMILESCCC1(C)CCC2(O1)C(C)=CCC1C(C)(C)CCCC12C
InChIInChI=1S/C20H34O/c1-7-18(5)13-14-20(21-18)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h9,16H,7-8,10-14H2,1-6H3
InChIKeyOVXBXSBTXMSYKL-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
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'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]?
The IUPAC name of 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane] (CID 597151) is 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane].
What is the SMILES notation for 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]?
The canonical SMILES for 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane] is CCC1(C)CCC2(O1)C(C)=CCC1C(C)(C)CCCC12C.
What is the InChIKey of 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]?
The InChIKey is OVXBXSBTXMSYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-7-18(5)13-14-20(21-18)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h9,16H,7-8,10-14H2,1-6H3.
What are the key properties of 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane]?
5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane] has a molecular weight of 290.49 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-ethyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-oxolane] is sourced from PubChem (CID 597151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).