(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C16H30O — CID 71133313

IUPAC(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCC[C@@H]1C2C(O)CC(C)C(C)C2C(C)C[C@@H]1C
InChIInChI=1S/C16H30O/c1-6-13-10(3)7-11(4)15-12(5)9(2)8-14(17)16(13)15/h9-17H,6-8H2,1-5H3/t9?,10-,11?,12?,13-,14?,15?,16?/m0/s1
InChIKeyOBFSPYJPEHOHKO-BDYMUVGRSA-N
MW238.41 g/mol
LogP3.96
Rot. Bonds1

About (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 71133313) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID71133313
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCC[C@@H]1C2C(O)CC(C)C(C)C2C(C)C[C@@H]1C
InChIInChI=1S/C16H30O/c1-6-13-10(3)7-11(4)15-12(5)9(2)8-14(17)16(13)15/h9-17H,6-8H2,1-5H3/t9?,10-,11?,12?,13-,14?,15?,16?/m0/s1
InChIKeyOBFSPYJPEHOHKO-BDYMUVGRSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 71133313) is (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is CC[C@@H]1C2C(O)CC(C)C(C)C2C(C)C[C@@H]1C.
What is the InChIKey of (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is OBFSPYJPEHOHKO-BDYMUVGRSA-N. The full InChI is InChI=1S/C16H30O/c1-6-13-10(3)7-11(4)15-12(5)9(2)8-14(17)16(13)15/h9-17H,6-8H2,1-5H3/t9?,10-,11?,12?,13-,14?,15?,16?/m0/s1.
What are the key properties of (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 238.41 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 71133313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).