2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane

C15H26O — CID 142148833

IUPAC2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane
SMILESC=C(CO)C1CCC2=CCCCC2C1.CC
InChIInChI=1S/C13H20O.C2H6/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12;1-2/h4,12-14H,1-3,5-9H2;1-2H3
InChIKeyBSLGTNQJNWVOFG-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds2

About 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane

2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane (PubChem CID 142148833) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane.

Molecular Properties

Compound Name2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane
PubChem CID142148833
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane
SMILESC=C(CO)C1CCC2=CCCCC2C1.CC
InChIInChI=1S/C13H20O.C2H6/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12;1-2/h4,12-14H,1-3,5-9H2;1-2H3
InChIKeyBSLGTNQJNWVOFG-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
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-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane?
The IUPAC name of 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane (CID 142148833) is 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane.
What is the SMILES notation for 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane?
The canonical SMILES for 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane is C=C(CO)C1CCC2=CCCCC2C1.CC.
What is the InChIKey of 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane?
The InChIKey is BSLGTNQJNWVOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C2H6/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12;1-2/h4,12-14H,1-3,5-9H2;1-2H3.
What are the key properties of 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane?
2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane has a molecular weight of 222.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol;ethane is sourced from PubChem (CID 142148833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).