3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol

C15H28O — CID 71336816

IUPAC3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol
SMILESCC1C(O)CC2C(C)(C)CCCC2(C)C1C
InChIInChI=1S/C15H28O/c1-10-11(2)15(5)8-6-7-14(3,4)13(15)9-12(10)16/h10-13,16H,6-9H2,1-5H3
InChIKeyMYQHXOMRMNETIU-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.86
Rot. Bonds

About 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol

3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol (PubChem CID 71336816) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol.

Molecular Properties

Compound Name3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol
PubChem CID71336816
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol
SMILESCC1C(O)CC2C(C)(C)CCCC2(C)C1C
InChIInChI=1S/C15H28O/c1-10-11(2)15(5)8-6-7-14(3,4)13(15)9-12(10)16/h10-13,16H,6-9H2,1-5H3
InChIKeyMYQHXOMRMNETIU-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol?
The IUPAC name of 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol (CID 71336816) is 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol.
What is the SMILES notation for 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol?
The canonical SMILES for 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol is CC1C(O)CC2C(C)(C)CCCC2(C)C1C.
What is the InChIKey of 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol?
The InChIKey is MYQHXOMRMNETIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-10-11(2)15(5)8-6-7-14(3,4)13(15)9-12(10)16/h10-13,16H,6-9H2,1-5H3.
What are the key properties of 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol?
3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol has a molecular weight of 224.39 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,8,8-pentamethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-ol is sourced from PubChem (CID 71336816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).