(5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol

C30H42O2 — CID 162879692

IUPAC(5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCc1cc2c(c(O)c1-c1c(C)cc(O)c3c1[C@@H](C(C)C)CC[C@@H]3C)[C@@H](C)CC[C@@H]2C(C)C
InChIInChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)28(30(25)32)27-20(8)14-24(31)26-18(6)10-12-22(16(3)4)29(26)27/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21+,22+/m0/s1
InChIKeyITDCWBRGZUMNOD-MOXQZVSFSA-N
MW434.66 g/mol
LogP8.66
Rot. Bonds3

About (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol

(5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 162879692) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID162879692
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name(5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCc1cc2c(c(O)c1-c1c(C)cc(O)c3c1[C@@H](C(C)C)CC[C@@H]3C)[C@@H](C)CC[C@@H]2C(C)C
InChIInChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)28(30(25)32)27-20(8)14-24(31)26-18(6)10-12-22(16(3)4)29(26)27/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21+,22+/m0/s1
InChIKeyITDCWBRGZUMNOD-MOXQZVSFSA-N
XLogP8.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol (CID 162879692) is (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol is Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1[C@@H](C(C)C)CC[C@@H]3C)[C@@H](C)CC[C@@H]2C(C)C.
What is the InChIKey of (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is ITDCWBRGZUMNOD-MOXQZVSFSA-N. The full InChI is InChI=1S/C30H42O2/c1-15(2)21-11-9-17(5)25-23(21)13-19(7)28(30(25)32)27-20(8)14-24(31)26-18(6)10-12-22(16(3)4)29(26)27/h13-18,21-22,31-32H,9-12H2,1-8H3/t17-,18-,21+,22+/m0/s1.
What are the key properties of (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol?
(5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 434.66 g/mol, XLogP of 8.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-2-[(5S,8R)-4-hydroxy-2,5-dimethyl-8-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 162879692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).