1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate

C17H18O2 — CID 144690906

IUPAC1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate
SMILESC/C=C\c1cc2c(C(C)OC=O)cccc2cc1C
InChIInChI=1S/C17H18O2/c1-4-6-14-10-17-15(9-12(14)2)7-5-8-16(17)13(3)19-11-18/h4-11,13H,1-3H3/b6-4-
InChIKeyLMMOGBHOMRBSMH-XQRVVYSFSA-N
MW254.33 g/mol
LogP4.42
Rot. Bonds4

About 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate

1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate (PubChem CID 144690906) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate.

Molecular Properties

Compound Name1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate
PubChem CID144690906
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate
SMILESC/C=C\c1cc2c(C(C)OC=O)cccc2cc1C
InChIInChI=1S/C17H18O2/c1-4-6-14-10-17-15(9-12(14)2)7-5-8-16(17)13(3)19-11-18/h4-11,13H,1-3H3/b6-4-
InChIKeyLMMOGBHOMRBSMH-XQRVVYSFSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate?
The IUPAC name of 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate (CID 144690906) is 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate.
What is the SMILES notation for 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate?
The canonical SMILES for 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate is C/C=C\c1cc2c(C(C)OC=O)cccc2cc1C.
What is the InChIKey of 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate?
The InChIKey is LMMOGBHOMRBSMH-XQRVVYSFSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-6-14-10-17-15(9-12(14)2)7-5-8-16(17)13(3)19-11-18/h4-11,13H,1-3H3/b6-4-.
What are the key properties of 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate?
1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate has a molecular weight of 254.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-7-[(Z)-prop-1-enyl]naphthalen-1-yl]ethyl formate is sourced from PubChem (CID 144690906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).