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

C20H34O2 — CID 101225091

IUPAC(1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESCC1=CCO[C@H]1C[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O
InChIInChI=1S/C20H34O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,15-17,21H,6-7,9-13H2,1-5H3/t15-,16?,17+,19-,20+/m0/s1
InChIKeyTYOCYSYZCMGKPO-AWOULIKDSA-N
MW306.49 g/mol
LogP4.72
Rot. Bonds2

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

(1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (PubChem CID 101225091) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID101225091
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESCC1=CCO[C@H]1C[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O
InChIInChI=1S/C20H34O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,15-17,21H,6-7,9-13H2,1-5H3/t15-,16?,17+,19-,20+/m0/s1
InChIKeyTYOCYSYZCMGKPO-AWOULIKDSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (CID 101225091) is (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is CC1=CCO[C@H]1C[C@@H]1[C@@]2(C)CCCC(C)(C)C2CC[C@@]1(C)O.
What is the InChIKey of (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The InChIKey is TYOCYSYZCMGKPO-AWOULIKDSA-N. The full InChI is InChI=1S/C20H34O2/c1-14-8-12-22-15(14)13-17-19(4)10-6-9-18(2,3)16(19)7-11-20(17,5)21/h8,15-17,21H,6-7,9-13H2,1-5H3/t15-,16?,17+,19-,20+/m0/s1.
What are the key properties of (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
(1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol has a molecular weight of 306.49 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8aS)-2,5,5,8a-tetramethyl-1-[[(2S)-3-methyl-2,5-dihydrofuran-2-yl]methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 101225091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).