(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol

C15H24O2 — CID 139591338

IUPAC(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=C1C=C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
InChIInChI=1S/C15H24O2/c1-11-6-7-12-13(2,3)8-5-9-14(12,4)15(11,17)10-16/h6-7,12,16-17H,1,5,8-10H2,2-4H3/t12-,14-,15+/m0/s1
InChIKeyXNIDYKVHDSECQN-AEGPPILISA-N
MW236.35 g/mol
LogP2.67
Rot. Bonds1

About (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol

(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 139591338) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID139591338
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=C1C=C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
InChIInChI=1S/C15H24O2/c1-11-6-7-12-13(2,3)8-5-9-14(12,4)15(11,17)10-16/h6-7,12,16-17H,1,5,8-10H2,2-4H3/t12-,14-,15+/m0/s1
InChIKeyXNIDYKVHDSECQN-AEGPPILISA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol (CID 139591338) is (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol is C=C1C=C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO.
What is the InChIKey of (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XNIDYKVHDSECQN-AEGPPILISA-N. The full InChI is InChI=1S/C15H24O2/c1-11-6-7-12-13(2,3)8-5-9-14(12,4)15(11,17)10-16/h6-7,12,16-17H,1,5,8-10H2,2-4H3/t12-,14-,15+/m0/s1.
What are the key properties of (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol?
(1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-2-methylidene-4a,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 139591338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).