prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate

C16H22O3 — CID 54683264

IUPACprop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate
SMILESC=CCOC(=O)C1=C(O)CC2=C(CCCC2(C)C)C1
InChIInChI=1S/C16H22O3/c1-4-8-19-15(18)12-9-11-6-5-7-16(2,3)13(11)10-14(12)17/h4,17H,1,5-10H2,2-3H3
InChIKeyDMSRULRDLZFIIV-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.83
Rot. Bonds3

About prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate

prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate (PubChem CID 54683264) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate
PubChem CID54683264
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameprop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate
SMILESC=CCOC(=O)C1=C(O)CC2=C(CCCC2(C)C)C1
InChIInChI=1S/C16H22O3/c1-4-8-19-15(18)12-9-11-6-5-7-16(2,3)13(11)10-14(12)17/h4,17H,1,5-10H2,2-3H3
InChIKeyDMSRULRDLZFIIV-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate?
The IUPAC name of prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate (CID 54683264) is prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate is C=CCOC(=O)C1=C(O)CC2=C(CCCC2(C)C)C1.
What is the InChIKey of prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate?
The InChIKey is DMSRULRDLZFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-8-19-15(18)12-9-11-6-5-7-16(2,3)13(11)10-14(12)17/h4,17H,1,5-10H2,2-3H3.
What are the key properties of prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate?
prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-hydroxy-5,5-dimethyl-4,6,7,8-tetrahydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 54683264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).