(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol

C16H24O2 — CID 143917176

IUPAC(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC(CC)O[C@@H]1Cc2c(O)cccc2CC1C
InChIInChI=1S/C16H24O2/c1-4-13(5-2)18-16-10-14-12(9-11(16)3)7-6-8-15(14)17/h6-8,11,13,16-17H,4-5,9-10H2,1-3H3/t11?,16-/m1/s1
InChIKeyACBPAVHRIFNIOB-WVQRXBFSSA-N
MW248.37 g/mol
LogP3.70
Rot. Bonds4

About (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol

(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 143917176) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID143917176
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCC(CC)O[C@@H]1Cc2c(O)cccc2CC1C
InChIInChI=1S/C16H24O2/c1-4-13(5-2)18-16-10-14-12(9-11(16)3)7-6-8-15(14)17/h6-8,11,13,16-17H,4-5,9-10H2,1-3H3/t11?,16-/m1/s1
InChIKeyACBPAVHRIFNIOB-WVQRXBFSSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol (CID 143917176) is (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol is CCC(CC)O[C@@H]1Cc2c(O)cccc2CC1C.
What is the InChIKey of (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is ACBPAVHRIFNIOB-WVQRXBFSSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-13(5-2)18-16-10-14-12(9-11(16)3)7-6-8-15(14)17/h6-8,11,13,16-17H,4-5,9-10H2,1-3H3/t11?,16-/m1/s1.
What are the key properties of (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol?
(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 143917176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).