(1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol

C13H20O — CID 145414543

IUPAC(1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol
SMILESC=C1C=C2CCC(C)[C@@H](O)[C@@]2(C)CC1
InChIInChI=1S/C13H20O/c1-9-6-7-13(3)11(8-9)5-4-10(2)12(13)14/h8,10,12,14H,1,4-7H2,2-3H3/t10?,12-,13+/m1/s1
InChIKeyWQGNCUHWNLPWOT-SOYIIFOFSA-N
MW192.30 g/mol
LogP3.06
Rot. Bonds

About (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol

(1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol (PubChem CID 145414543) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol
PubChem CID145414543
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol
SMILESC=C1C=C2CCC(C)[C@@H](O)[C@@]2(C)CC1
InChIInChI=1S/C13H20O/c1-9-6-7-13(3)11(8-9)5-4-10(2)12(13)14/h8,10,12,14H,1,4-7H2,2-3H3/t10?,12-,13+/m1/s1
InChIKeyWQGNCUHWNLPWOT-SOYIIFOFSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol?
The IUPAC name of (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol (CID 145414543) is (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol.
What is the SMILES notation for (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol?
The canonical SMILES for (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol is C=C1C=C2CCC(C)[C@@H](O)[C@@]2(C)CC1.
What is the InChIKey of (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol?
The InChIKey is WQGNCUHWNLPWOT-SOYIIFOFSA-N. The full InChI is InChI=1S/C13H20O/c1-9-6-7-13(3)11(8-9)5-4-10(2)12(13)14/h8,10,12,14H,1,4-7H2,2-3H3/t10?,12-,13+/m1/s1.
What are the key properties of (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol?
(1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aS)-2,8a-dimethyl-6-methylidene-1,2,3,4,7,8-hexahydronaphthalen-1-ol is sourced from PubChem (CID 145414543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).