7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol

C16H24O2 — CID 139590778

IUPAC7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol
SMILESCC(=CCO)C1C=C2C(=CCC(O)C2(C)C)CC1
InChIInChI=1S/C16H24O2/c1-11(8-9-17)13-5-4-12-6-7-15(18)16(2,3)14(12)10-13/h6,8,10,13,15,17-18H,4-5,7,9H2,1-3H3
InChIKeyYOAXHSPUOPMCPG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds2

About 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol

7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol (PubChem CID 139590778) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol
PubChem CID139590778
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol
SMILESCC(=CCO)C1C=C2C(=CCC(O)C2(C)C)CC1
InChIInChI=1S/C16H24O2/c1-11(8-9-17)13-5-4-12-6-7-15(18)16(2,3)14(12)10-13/h6,8,10,13,15,17-18H,4-5,7,9H2,1-3H3
InChIKeyYOAXHSPUOPMCPG-UHFFFAOYSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol?
The IUPAC name of 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol (CID 139590778) is 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol.
What is the SMILES notation for 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol?
The canonical SMILES for 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol is CC(=CCO)C1C=C2C(=CCC(O)C2(C)C)CC1.
What is the InChIKey of 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol?
The InChIKey is YOAXHSPUOPMCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11(8-9-17)13-5-4-12-6-7-15(18)16(2,3)14(12)10-13/h6,8,10,13,15,17-18H,4-5,7,9H2,1-3H3.
What are the key properties of 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol?
7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxybut-2-en-2-yl)-1,1-dimethyl-3,5,6,7-tetrahydro-2H-naphthalen-2-ol is sourced from PubChem (CID 139590778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).