(7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol

C14H22O — CID 71112542

IUPAC(7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
SMILESCC[C@@H]1C2C(=CC(C)CC2O)C=C[C@@H]1C
InChIInChI=1S/C14H22O/c1-4-12-10(3)5-6-11-7-9(2)8-13(15)14(11)12/h5-7,9-10,12-15H,4,8H2,1-3H3/t9?,10-,12-,13?,14?/m0/s1
InChIKeyJQKNDFMSYQZLAT-KWDOYRKZSA-N
MW206.33 g/mol
LogP3.16
Rot. Bonds1

About (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol

(7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol (PubChem CID 71112542) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
PubChem CID71112542
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol
SMILESCC[C@@H]1C2C(=CC(C)CC2O)C=C[C@@H]1C
InChIInChI=1S/C14H22O/c1-4-12-10(3)5-6-11-7-9(2)8-13(15)14(11)12/h5-7,9-10,12-15H,4,8H2,1-3H3/t9?,10-,12-,13?,14?/m0/s1
InChIKeyJQKNDFMSYQZLAT-KWDOYRKZSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
The IUPAC name of (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol (CID 71112542) is (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol.
What is the SMILES notation for (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
The canonical SMILES for (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol is CC[C@@H]1C2C(=CC(C)CC2O)C=C[C@@H]1C.
What is the InChIKey of (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
The InChIKey is JQKNDFMSYQZLAT-KWDOYRKZSA-N. The full InChI is InChI=1S/C14H22O/c1-4-12-10(3)5-6-11-7-9(2)8-13(15)14(11)12/h5-7,9-10,12-15H,4,8H2,1-3H3/t9?,10-,12-,13?,14?/m0/s1.
What are the key properties of (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol?
(7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-8-ethyl-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-ol is sourced from PubChem (CID 71112542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).