(4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate

C15H20O3 — CID 12848612

IUPAC(4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=CC2=CCCCC2(C)CC1
InChIInChI=1S/C15H20O3/c1-3-10-17-14(16)18-13-7-9-15(2)8-5-4-6-12(15)11-13/h3,6,11H,1,4-5,7-10H2,2H3
InChIKeyPUFPNTNGHMXGTG-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.12
Rot. Bonds3

About (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate

(4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate (PubChem CID 12848612) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate
PubChem CID12848612
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=CC2=CCCCC2(C)CC1
InChIInChI=1S/C15H20O3/c1-3-10-17-14(16)18-13-7-9-15(2)8-5-4-6-12(15)11-13/h3,6,11H,1,4-5,7-10H2,2H3
InChIKeyPUFPNTNGHMXGTG-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
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 (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate?
The IUPAC name of (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate (CID 12848612) is (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate.
What is the SMILES notation for (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate?
The canonical SMILES for (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1=CC2=CCCCC2(C)CC1.
What is the InChIKey of (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate?
The InChIKey is PUFPNTNGHMXGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-10-17-14(16)18-13-7-9-15(2)8-5-4-6-12(15)11-13/h3,6,11H,1,4-5,7-10H2,2H3.
What are the key properties of (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate?
(4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate has a molecular weight of 248.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl) prop-2-enyl carbonate is sourced from PubChem (CID 12848612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).