(1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol

C15H28O2 — CID 14190817

IUPAC(1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
SMILESCC(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1O
InChIInChI=1S/C15H28O2/c1-10(2)11-6-9-14(3)7-5-8-15(4,17)13(14)12(11)16/h10-13,16-17H,5-9H2,1-4H3/t11-,12+,13-,14-,15-/m1/s1
InChIKeyRUGJZFZHTUVOIR-XLWJZTARSA-N
MW240.39 g/mol
LogP2.97
Rot. Bonds1

About (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol

(1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol (PubChem CID 14190817) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol.

Molecular Properties

Compound Name(1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
PubChem CID14190817
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
SMILESCC(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1O
InChIInChI=1S/C15H28O2/c1-10(2)11-6-9-14(3)7-5-8-15(4,17)13(14)12(11)16/h10-13,16-17H,5-9H2,1-4H3/t11-,12+,13-,14-,15-/m1/s1
InChIKeyRUGJZFZHTUVOIR-XLWJZTARSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol with MolForge

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Related Compounds

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CID 556998
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CID 99038
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(-)-Pinocampheol
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Auberganol
CID 85157952
7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 4655876
2-Naphthalenol, decahydro-6-(1-methylethyl)-
CID 94453
Decahydro-2-hydroxy-2,5,5,8a-tetramethylnaphthalene-1-ethanol
CID 91915
Pinanediol, (+)-
CID 10219606
Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-, (1S,2R,4R)-
CID 13344662

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol?
The IUPAC name of (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol (CID 14190817) is (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol.
What is the SMILES notation for (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol?
The canonical SMILES for (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol is CC(C)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1O.
What is the InChIKey of (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol?
The InChIKey is RUGJZFZHTUVOIR-XLWJZTARSA-N. The full InChI is InChI=1S/C15H28O2/c1-10(2)11-6-9-14(3)7-5-8-15(4,17)13(14)12(11)16/h10-13,16-17H,5-9H2,1-4H3/t11-,12+,13-,14-,15-/m1/s1.
What are the key properties of (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol?
(1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol has a molecular weight of 240.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4aR,8R,8aS)-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol is sourced from PubChem (CID 14190817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).