2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol

C13H22O — CID 130152499

IUPAC2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol
SMILESCC1C=C2C(CCO)CCCC2CC1
InChIInChI=1S/C13H22O/c1-10-5-6-11-3-2-4-12(7-8-14)13(11)9-10/h9-12,14H,2-8H2,1H3
InChIKeyDCUHIXMUWYFZNA-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.14
Rot. Bonds2

About 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol

2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol (PubChem CID 130152499) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol
PubChem CID130152499
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol
SMILESCC1C=C2C(CCO)CCCC2CC1
InChIInChI=1S/C13H22O/c1-10-5-6-11-3-2-4-12(7-8-14)13(11)9-10/h9-12,14H,2-8H2,1H3
InChIKeyDCUHIXMUWYFZNA-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol?
The IUPAC name of 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol (CID 130152499) is 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol.
What is the SMILES notation for 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol?
The canonical SMILES for 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol is CC1C=C2C(CCO)CCCC2CC1.
What is the InChIKey of 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol?
The InChIKey is DCUHIXMUWYFZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-10-5-6-11-3-2-4-12(7-8-14)13(11)9-10/h9-12,14H,2-8H2,1H3.
What are the key properties of 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol?
2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol has a molecular weight of 194.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol is sourced from PubChem (CID 130152499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).