(2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol

C15H26O2 — CID 71454807

IUPAC(2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
SMILESCC1=C(CO)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@H]1O
InChIInChI=1S/C15H26O2/c1-10-11(9-16)15(4)7-5-6-14(2,3)13(15)8-12(10)17/h12-13,16-17H,5-9H2,1-4H3/t12-,13+,15-/m1/s1
InChIKeySVWKODBBWFMLHM-VNHYZAJKSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds1

About (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol

(2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol (PubChem CID 71454807) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
PubChem CID71454807
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol
SMILESCC1=C(CO)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@H]1O
InChIInChI=1S/C15H26O2/c1-10-11(9-16)15(4)7-5-6-14(2,3)13(15)8-12(10)17/h12-13,16-17H,5-9H2,1-4H3/t12-,13+,15-/m1/s1
InChIKeySVWKODBBWFMLHM-VNHYZAJKSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
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 (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol?
The IUPAC name of (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol (CID 71454807) is (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol.
What is the SMILES notation for (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol?
The canonical SMILES for (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol is CC1=C(CO)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@H]1O.
What is the InChIKey of (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol?
The InChIKey is SVWKODBBWFMLHM-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-11(9-16)15(4)7-5-6-14(2,3)13(15)8-12(10)17/h12-13,16-17H,5-9H2,1-4H3/t12-,13+,15-/m1/s1.
What are the key properties of (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol?
(2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-2-ol is sourced from PubChem (CID 71454807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).