(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

C17H32O2 — CID 155460534

IUPAC(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESCC1CC(C)(C)C2CC[C@@](C)(O)C(CCO)C2(C)C1
InChIInChI=1S/C17H32O2/c1-12-10-15(2,3)13-6-8-17(5,19)14(7-9-18)16(13,4)11-12/h12-14,18-19H,6-11H2,1-5H3/t12?,13?,14?,16?,17-/m1/s1
InChIKeyXNLTTZURRCPTLP-BQAHKBOESA-N
MW268.44 g/mol
LogP3.61
Rot. Bonds2

About (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (PubChem CID 155460534) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID155460534
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESCC1CC(C)(C)C2CC[C@@](C)(O)C(CCO)C2(C)C1
InChIInChI=1S/C17H32O2/c1-12-10-15(2,3)13-6-8-17(5,19)14(7-9-18)16(13,4)11-12/h12-14,18-19H,6-11H2,1-5H3/t12?,13?,14?,16?,17-/m1/s1
InChIKeyXNLTTZURRCPTLP-BQAHKBOESA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4aS,8aS)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 11107904
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-propyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 134335088
(1S,2S,4aR,8aR)-1-[(Z)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 38346537
3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran;3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one;1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 157371004
(1R,8aS)-2,5,5,8a-tetramethyl-1-[(Z)-3-methylpent-3-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118288330
2-[(1R,2R,8aS)-2-fluoro-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethanol
CID 129213657
1-ethyl-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 76550157
1-[2-[3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 4675091
[(2S,4aS,7R,8R,8aS)-7-hydroxy-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-yl] acetate
CID 14705358
(1R,2S,5R)-1,4,4-trimethylbicyclo[3.2.0]heptan-2-ol
CID 130857685
(1S,3R,4R,4aS)-4-(2-hydroxyethyl)-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
CID 101113600
(2S,4aR,8aR)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 91747195

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (CID 155460534) is (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is CC1CC(C)(C)C2CC[C@@](C)(O)C(CCO)C2(C)C1.
What is the InChIKey of (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The InChIKey is XNLTTZURRCPTLP-BQAHKBOESA-N. The full InChI is InChI=1S/C17H32O2/c1-12-10-15(2,3)13-6-8-17(5,19)14(7-9-18)16(13,4)11-12/h12-14,18-19H,6-11H2,1-5H3/t12?,13?,14?,16?,17-/m1/s1.
What are the key properties of (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol has a molecular weight of 268.44 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 155460534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).