(8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate

C17H22O2 — CID 126516813

IUPAC(8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1=CC=C2C=C(C(C)C)CC(C)C2C1
InChIInChI=1S/C17H22O2/c1-5-17(18)19-15-7-6-13-9-14(11(2)3)8-12(4)16(13)10-15/h5-7,9,11-12,16H,1,8,10H2,2-4H3
InChIKeyJANOTNQIZNWYSS-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.17
Rot. Bonds3

About (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate

(8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate (PubChem CID 126516813) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate
PubChem CID126516813
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1=CC=C2C=C(C(C)C)CC(C)C2C1
InChIInChI=1S/C17H22O2/c1-5-17(18)19-15-7-6-13-9-14(11(2)3)8-12(4)16(13)10-15/h5-7,9,11-12,16H,1,8,10H2,2-4H3
InChIKeyJANOTNQIZNWYSS-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate?
The IUPAC name of (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate (CID 126516813) is (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate.
What is the SMILES notation for (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate?
The canonical SMILES for (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate is C=CC(=O)OC1=CC=C2C=C(C(C)C)CC(C)C2C1.
What is the InChIKey of (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate?
The InChIKey is JANOTNQIZNWYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-5-17(18)19-15-7-6-13-9-14(11(2)3)8-12(4)16(13)10-15/h5-7,9,11-12,16H,1,8,10H2,2-4H3.
What are the key properties of (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate?
(8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate has a molecular weight of 258.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-6-propan-2-yl-1,7,8,8a-tetrahydronaphthalen-2-yl) prop-2-enoate is sourced from PubChem (CID 126516813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).