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

C13H20O — CID 142148834

IUPAC2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCC2=CCCCC2C1
InChIInChI=1S/C13H20O/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h4,12-14H,1-3,5-9H2
InChIKeyMBUCCEDMWQAJSZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.06
Rot. Bonds2

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

2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol (PubChem CID 142148834) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol
PubChem CID142148834
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCC2=CCCCC2C1
InChIInChI=1S/C13H20O/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h4,12-14H,1-3,5-9H2
InChIKeyMBUCCEDMWQAJSZ-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

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?
The IUPAC name of 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol (CID 142148834) is 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol?
The canonical SMILES for 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol is C=C(CO)C1CCC2=CCCCC2C1.
What is the InChIKey of 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol?
The InChIKey is MBUCCEDMWQAJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(9-14)12-7-6-11-4-2-3-5-13(11)8-12/h4,12-14H,1-3,5-9H2.
What are the key properties of 2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol?
2-(1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.06, 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 is sourced from PubChem (CID 142148834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).