(1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol

C20H34O3 — CID 10892636

IUPAC(1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol
SMILESCC1(CC[C@H]2[C@@](C)(O)C=CC3C(C)(C)CCC[C@@]32C)OCCO1
InChIInChI=1S/C20H34O3/c1-17(2)9-6-10-18(3)15(17)7-11-19(4,21)16(18)8-12-20(5)22-13-14-23-20/h7,11,15-16,21H,6,8-10,12-14H2,1-5H3/t15?,16-,18+,19+/m1/s1
InChIKeyWFQCCYXEXHEARM-ZXBAEOAUSA-N
MW322.49 g/mol
LogP4.30
Rot. Bonds3

About (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol

(1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol (PubChem CID 10892636) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol
PubChem CID10892636
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol
SMILESCC1(CC[C@H]2[C@@](C)(O)C=CC3C(C)(C)CCC[C@@]32C)OCCO1
InChIInChI=1S/C20H34O3/c1-17(2)9-6-10-18(3)15(17)7-11-19(4,21)16(18)8-12-20(5)22-13-14-23-20/h7,11,15-16,21H,6,8-10,12-14H2,1-5H3/t15?,16-,18+,19+/m1/s1
InChIKeyWFQCCYXEXHEARM-ZXBAEOAUSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol?
The IUPAC name of (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol (CID 10892636) is (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol?
The canonical SMILES for (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol is CC1(CC[C@H]2[C@@](C)(O)C=CC3C(C)(C)CCC[C@@]32C)OCCO1.
What is the InChIKey of (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol?
The InChIKey is WFQCCYXEXHEARM-ZXBAEOAUSA-N. The full InChI is InChI=1S/C20H34O3/c1-17(2)9-6-10-18(3)15(17)7-11-19(4,21)16(18)8-12-20(5)22-13-14-23-20/h7,11,15-16,21H,6,8-10,12-14H2,1-5H3/t15?,16-,18+,19+/m1/s1.
What are the key properties of (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol?
(1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol has a molecular weight of 322.49 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,8aS)-2,5,5,8a-tetramethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4a,6,7,8-tetrahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 10892636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).