1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol

C18H30O — CID 143063809

IUPAC1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol
SMILESCCCCC(O)CCC1C(C)C=CC2=CCCCC21
InChIInChI=1S/C18H30O/c1-3-4-8-16(19)12-13-17-14(2)10-11-15-7-5-6-9-18(15)17/h7,10-11,14,16-19H,3-6,8-9,12-13H2,1-2H3
InChIKeyGSTICGXDQCPEMJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.87
Rot. Bonds6

About 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol

1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol (PubChem CID 143063809) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol.

Molecular Properties

Compound Name1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol
PubChem CID143063809
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol
SMILESCCCCC(O)CCC1C(C)C=CC2=CCCCC21
InChIInChI=1S/C18H30O/c1-3-4-8-16(19)12-13-17-14(2)10-11-15-7-5-6-9-18(15)17/h7,10-11,14,16-19H,3-6,8-9,12-13H2,1-2H3
InChIKeyGSTICGXDQCPEMJ-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol?
The IUPAC name of 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol (CID 143063809) is 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol.
What is the SMILES notation for 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol?
The canonical SMILES for 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol is CCCCC(O)CCC1C(C)C=CC2=CCCCC21.
What is the InChIKey of 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol?
The InChIKey is GSTICGXDQCPEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-4-8-16(19)12-13-17-14(2)10-11-15-7-5-6-9-18(15)17/h7,10-11,14,16-19H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol?
1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol has a molecular weight of 262.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptan-3-ol is sourced from PubChem (CID 143063809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).